[ CAS No. 126163-56-2 ] {[proInfo.proName]}

Name: 126163-56-2|4-Ethoxy-2,3-difluorophenol|98%
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Quality Control of [ 126163-56-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 126163-56-2 ]

Product Details of [ 126163-56-2 ]

CAS No. :	126163-56-2	MDL No. :	MFCD07368025
Formula :	C₈H₈F₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PKIYFPSPIFCDDB-UHFFFAOYSA-N
M.W :	174.14	Pubchem ID :	14495763
Synonyms :

Calculated chemistry of [ 126163-56-2 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	39.68
TPSA :	29.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.07
Log Po/w (XLOGP3) :	2.11
Log Po/w (WLOGP) :	2.91
Log Po/w (MLOGP) :	2.33
Log Po/w (SILICOS-IT) :	2.51
Consensus Log Po/w :	2.39

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.49
Solubility :	0.567 mg/ml ; 0.00326 mol/l
Class :	Soluble
Log S (Ali) :	-2.36
Solubility :	0.761 mg/ml ; 0.00437 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.91
Solubility :	0.215 mg/ml ; 0.00123 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.61

Safety of [ 126163-56-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 126163-56-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 126163-56-2 ]

[ 126163-56-2 ] Synthesis Path-Downstream 1~42

1
[ 126163-56-2 ]
[ 171517-62-7 ]
2,3-difluoro-4-ethoxyphenyl 3-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)propionate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 14h;

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP1179522, 2002, A1 Location in patent: Page 47-48

Yield	Reaction Conditions	Operation in experiment
43.4%		1.d (Second step) (Second step) To a solution prepared by dissolving 19.0 g (0.12 mol) of the 2,3-difluoroethoxybenzene obtained by the first step, in 250 ml of tetrahydrofuran (THF) was added dropwise 100 ml of solution of 1.56 M of n-butyl lithium in hexane at -78° C. in 30 min and stirred as it was for 30 min. To this solution was added dropwise solution of 25 g (0.24 mol) of trimethyl borate in 50 ml of THF at the same temperature in 10 min, stirred at the same temperature for 3 hours, and then gradually warmed up to room temperature. To this solution was added 55.2 g (1.2 mol) of formic acid, further 108.8 g of 30% by weight of hydrogen peroxide was added in 30 min, and then the solution was heated up to 50° C. and stirred as it was for 30 min. After the reaction solution was allowed to stand to cool down to room temperature, the solution was poured into 5% by weight of aqueous sodium thiosulfate solution and extracted with 400 ml of toluene. The organic layer was dried over anhydrous magnesium sulfate, the solvent was distilled off under a reduced pressure, and the residue was recrystallized from heptane to obtain 9.1 g of 2,3-difluoro-4-ethoxyphenol (yield 43.4%)
		19 Preparation of 4-ethoxy-2,3-difluorophenol EXAMPLE 19 Preparation of 4-ethoxy-2,3-difluorophenol 0.02 mol of 2,3-difluoroethoxybenzene are metalated according to 1b. Subsequently, 0.02 mol of trimethyl borate are added dropwise at a temperature of about -55° to -60° C. during the course of 0.5 h. The resulting suspension is subsequently stirred for a further 0.5 h, the temperature climbing to about -20°. 1.5 ml of 98% acetic acid are added. After about 15 min, the mixture is cooled to about -35° and a solution of 30% H2 O2 /H2 O (5 ml/2 ml) is added dropwise. After stirring for 2 h while slowly warming to room temperature, the organic phase is separated and the aqueous phase is extracted with methyl tert.butyl ether. Finally, the mixture is washed with saturated NaCl solution, dried and evaporated.

3
4-(trans-4-n-pentylcyclohexyl)phenyldithiocarboxylic acid [ No CAS ]
[ 126163-56-2 ]
2,3-difluoro-4-ethoxyphenyl 4-(trans-4-n-pentylcyclohexyl)thiobenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
31.2%	With iodine In tetrahydrofuran	2.d (Second step) (Second step) To a suspension prepared by suspending 1.52 g (38.0 mmol) of 60% sodium hydride in 15 ml of THF was added dropwise solution of 5.29 g (17.3 mmol) of the 4-(trans-4-n-pentylcyclohexyl)-phenyldithiocarboxylic acid obtained by the first step, in 20 ml of THF under a condition cooled with ice in 15 min, and stirred as it was for 30 min. To this reaction solution was added dropwise solution of 2.50 g (14.4 mmol) of 2,3-difluoro-4-ethoxyphenol in 20 ml of THF in 15 min and stirred as it was for 30 min. To this reaction solution was added dropwise solution of 9.64 g (38.0 mmol) of iodine in 20 ml of THF in 15 min, stirred as it was for 1 hour, warmed up to room temperature, and then stirred at the same temperature overnight. This reaction solution was poured into 10% aqueous sodium thiosulfate solution and extracted with 100 ml of diethyl ether. The organic layer was dried over anhydrous magnesium sulfate, the solvent was distilled off under a reduced pressure, and the residue was purified by silica gel column chromatography (eluent: heptane) and further recrystallized from heptane to obtain 2.0 g of 2,3-difluoro-4-ethoxyphenyl 4-(trans-4-n-pentylcyclohexyl)thiobenzoate (yield 31.2%).

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - US6319570, 2001, B1

4
[ 184910-23-4 ]
[ 126163-56-2 ]
trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)-1-n-heptyl-1-silacyclohexane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		15 Preparation of trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)-1-n-heptyl-1-silacyclohexane EXAMPLE 15 Preparation of trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)-1-n-heptyl-1-silacyclohexane The general procedure of Example 9 was repeated using 2,3-difluoro-4-ethoxyphenol and 4-bromomethyl-1-n-heptyl-1-phenyl-1-silacyclohexane, thereby obtaining the intended compound.

Reference： [1]Current Patent Assignee: SHIN-ETSU CHEMICAL CO., LTD. - US5641430, 1997, A

5
4-(trans-4-bromomethylcyclohexyl)-1-phenyl-1-n-pentyl-1-silacyclohexane [ No CAS ]
[ 126163-56-2 ]
trans-4-(trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)cyclohexyl)-1-n-pentyl-1-silacyclohexane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		46 Preparation of trans-4-(trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)cyclohexyl)-1-n-pentyl-1-silacyclohexane EXAMPLE 46 Preparation of trans-4-(trans-4-(2,3-difluoro-4-ethoxyphenyloxymethyl)cyclohexyl)-1-n-pentyl-1-silacyclohexane The general procedure of Example 39 was repeated using 2,3-difluoro-4-ethoxyphenol and 4-(trans-4-bromomethylcyclohexyl)-1-phenyl-1-n-pentyl-1-silacyclohexane, thereby obtaining the intended product. The results of measurement of phase transition temperatures and IR analysis are shown below. TCN (crystal phase-nematic phase transition temperature)=50° C. TNI (nematic phase-isotropic phase transition temperature)=116° C. IR (KBr, disc) vmax: 2918, 2848, 2110, 1508, 1468, 1271, 1072, 972, 891, 837 cm-1

Reference： [1]Current Patent Assignee: SHIN-ETSU CHEMICAL CO., LTD. - US5641430, 1997, A

Yield	Reaction Conditions	Operation in experiment
71%		1.t Seventh Step: Seventh Step: Synthesis of 2,3-Difluoro-4-Ethoxyphenol (9) To a solution of 2,3-difluoro-4-ethoxyphenyl boric acid (8) (59.54g, 0.295 mole) prepared in the sixth step and formic acid (0.50g, 0.0295 mole) in ethanol (200 ml), there was dropwise added, under ice-cooling, 30% hydrogen peroxide (40.81g, 0.360 mole) and then they were reacted at 50°C for 2 hours. After the completion of the reaction, water (500 ml) was added to the reaction solution and then the latter was extracted with diethyl ether (500 ml). The resulting organic phase was washed with water (500 ml) and dried over anhydrous magnesium sulfate. The solvent was distilled off under reduced pressure and the resulting residue was purified by silica gel chromatography (eluent: 50:1 diethyl ether/methanol mixed solvent) to give the title compound, 2,3-difluoro-4-ethoxyphenol (9) (36.54g, 0.210 mole; yield 71%). MS/174(M +).

7
[ 126163-56-2 ]
[ 1190955-71-5 ]
[ 1191445-39-2 ]

Yield	Reaction Conditions	Operation in experiment
74%	Stage #1: 4-ethoxy-2,3-difluorophenol With potassium phosphate In N,N-dimethyl-formamide at 70℃; Inert atmosphere; Stage #2: 4'-chloromethyl-4-ethoxy-2,3-difluoro-biphenyl In N,N-dimethyl-formamide at 70℃; for 7h;	1.4 4-Ethoxy-2,3-difluorophenol (6) (1.5 g) and tripotassium phosphate (K3PO4) (7.5 g) were added to DMF (100 ml) under a nitrogen atmosphere, and the stirring was continued at 70 °C. The compound (5) (2.0 g) was added thereto and the stirring was continued at 70°C for 7 hours. After the reaction mixture obtained had been cooled to 30 °C and then separated from the solid by filtration, toluene (100 ml) and water (100 ml) were added thereto and mixed. The mixture was then allowed to stand until it had separated into two phases of organic and aqueous phases. The extraction into an organic phase was carried out. The organic phase obtained was washed with brine and dried over anhydrous magnesium sulfate. Then, the solvent was distilled off, and the residue obtained was purified by means of column chromatography (silicagel; heptane: toluene= 1:2 by volume). The product was further purified by means of recrystallization from a mixed solvent of Solmix A-11 and heptane (Solmix A-11: heptane= 1:2 by volume) and dried, giving 2.2 g of 4-ethoxy-2,3-difluoro-4'-(4-ethoxy-2,3-difluorophenoxymethyl)-1,1'-biphenyl (No. 678). The yield based on the compound (5) was 74.0%. The transition temperature of the compound (No. 678) obtained was as follows. Transition temperature: C 123.7 (N 113.4) I. The chemical shift δ (ppm) in 1H-NMR analysis was described below, and the compound obtained was identified as 4-ethoxy-2,3-difluoro-4'-(4-ethoxy-2,3-difluorophenoxymethyl)-1,1'-biphenyl. Chemical shift δ (ppm; CDCl3); 7. 49 (dd, 4H), 7.09 (td, 1H), 6.80(td, 1H), 6.67(td, 1H), 6.62(td, 1H), 5.12(s, 2H), 4.16(q, 2H), 4.05(q, 2H), 1.47(t, 3H) and 1.41(t, 3H).

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2266941, 2010, A1 Location in patent: Page/Page column 37

8
[ 126163-56-2 ]
4-chloromethyl-(4-ethoxy-2,3-difluorophenyl)-cyclohexane [ No CAS ]
2,3-difluoro-4-ethoxy-[trans-4-(2,3-difluoro-4-ethoxyphenoxymethyl)cyclohexyl]benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74%	Stage #1: 4-ethoxy-2,3-difluorophenol With potassium phosphate In N,N-dimethyl-formamide at 70℃; Inert atmosphere; Stage #2: 4-chloromethyl-(4-ethoxy-2,3-difluorophenyl)-cyclohexane In N,N-dimethyl-formamide at 70℃; for 7h;	5.3 4-Ethoxy-2,3-difluorophenol (6) (2.2 g) and tripotassium phosphate (K3PO4) (11.0 g) were added to DMF (100 ml) under a nitrogen atmosphere, and the stirring was continued at 70 °C. The compound (20) (3.0 g) was added thereto, and the stirring was continued at 70 °C for 7 hours. After the reaction mixture obtained had been cooled to 30 °C and separated from the solid by filtration, toluene (100 ml) and water (100 ml) were added thereto and mixed. The mixture was then allowed to separate into organic and aqueous phases. The extraction into an organic phase was carried out. The organic phase obtained was washed with brine and dried over anhydrous magnesium sulfate. Then, the solvent was distilled off, and the residue obtained was purified by means of column chromatography (silica gel; /toluene= 1/2 by volume). The product was further purified by means of recrystallization (Solmix A-11: heptane= 1:2 by volume), giving 2.2 g of 1-(4-ethoxy-2,3-difluorophenyl)-4-(4-ethoxy-2,3-difluorophenoxymethyl)-cyclohexane (No. 828). The yield based on the compound (20) was 74.0%. The transition temperature of the compound (No. 828) obtained was as follows. Transition temperature: C 97.0 N 102.5 I. The chemical shift δ (ppm) in 1H-NMR analysis was described below, and the compound obtained was identified as 2,3-difluoro-4-ethoxy-[trans-4-(2,3-difluoro-4-ethoxyphenoxymethyl)cyclohexyl]benzene (No. 828). Chemical shift δ (ppm; CDCl3); 6.84(td, 1H), 6.67 (td, 1H), 6.63 (d, 2H), 4.09 (q, 2H), 4.06(q, 2H), 3.83 (d, 2H), 2.80 (tt, 1H), 2.06-2.00(m, 2H), 1.97-1.83(m, 3H), 1.51(qd, 2H), 1.42(q, 6H) and 1.25(qd, 2H).

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2266941, 2010, A1 Location in patent: Page/Page column 42

9
[ 26934-56-5 ]
[ 126163-56-2 ]
[ 1078729-43-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride In N,N-dimethyl-formamide; mineral oil at 60℃; for 3h; Inert atmosphere;	1.4 Fourth Step (1,4-Dioxaspiro[4.5]decen-8-yl)-methanol-p-toluenesulfonic acid ester (13.0 g) prepared in Third Step and 4-ethoxy-2,3-difluorophenol (8.3 g) were dissolved in N,N-dimethylformamide (200 ml) under an atmosphere of nitrogen in a reaction vessel, and sodium hydride (55%; 2.83 g) was added thereto, and then the stirring was continued at 60 °C for another 3 hours. The reaction solution was cooled with ice, and water (100 ml) was slowly added thereto, separating into two phases. The water phase was extracted in diethyl ether (50 ml) three times, and the combined organic phase was washed with water and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel-column chromatography to give 8-(4-ethoxy-2,3-difluorophenoxymethyl)-1,4-dioxaspiro[4.5]decane (11.7 g).

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2272837, 2011, A1 Location in patent: Page/Page column 33

10
[ 126163-56-2 ]
4-chloromethyl-(4'-butoxy-2,3-difluoro-1,1'-biphenyl)cyclohexane [ No CAS ]
trans-4-(4-ethoxy-2,3-difluorophenyl)-4-[4'-butoxy-2,3-difluoro-1,1'-biphenoxymethyl]cyclohexane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50.7%	With potassium phosphate In N,N-dimethyl-formamide at 70℃; for 7h; Inert atmosphere;	5.8 Eighth step: 4-Ethoxy-2,3-difluorophenol (35) (0.96 g) and tripotassium phosphate (K3PO4; 7.4 g) were added to DMF (100 ml) under a nitrogen atmosphere, and the mixture was stirred at 70 °C. The compound (34) (2.0 g) was added thereto and the mixture was stirred at 70 °C for 7 hours. After the reaction mixture obtained had been cooled to 30 °C, solids were separated by filtration, and then toluene (100 ml) and water (100 ml) were added to and mixed with the filtrate. The mixture was then allowed to stand until it had separated into two phases of organic and aqueous phases, and extraction into an organic phase was carried out. The organic phase obtained was fractionated, washed with brine, and then dried over anhydrous magnesium sulfate. Then, the solvent was distilled off under reduced pressure, and the residue obtained was purified with a fractional operation by means of column chromatography using toluene as the eluent and silica gel as the stationary phase powder. The product was further purified by means of recrystallization from a mixed solvent of Solmix A-11 and ethyl acetate (Solmix A-11: ethyl acetate= 2:1 by volume) and dried, giving 1.4 g of trans-4-(4-ethoxy-2,3-difluorophenyl)-4-[4'-butoxy-2,3-difluoro-1,1'-biphenoxymethyl]cyclohexane (No. 3921). The yield based on the compound (15) was 50.7%. The chemical shift δ (ppm) of 1H-NMR analysis was as follows, and the compound obtained was identified as trans-4-(4-ethoxy-2,3-difluorophenyl)-4-[4'-butoxy-2,3-difluoro-1,1'-biphenoxymethyl]cyclohexane (No. 3921). The solvent for measurement was CDCl3. Chemical shift δ (ppm); 7.46(d, 1H), 7.11(t, 1H), 7.01(t, 1H), 6.97(d, 2H), 6.64(m, 2H), 4.06(q, 2H), 4.01(t, 2H), 3.84(d, 2H), 2.92(tt, 1H), 2.10-2.03(m, 2H), 2.03-1.87(m, 3H), 1.79(quint, 2H), 1.63-1.46(m, 5H), 1.43(t, 3H), 1.29(qd, 2H) and 0,99(t, 3H). Measured values of the compound itself were used for the transition temperature, and values converted from the measured values of the sample, in which the compound was mixed with the mother liquid crystals (i), by means of the extrapolation method described above were used for the maximum temperature (TNI), the dielectric anisotropy (Δε) and the optical anisotropy (Δn). The physical property values of the compound (No. 3921) were as follows. Transition temperature: C1 85.4 C2 96.2 N 228.4 I. TNI= 204.6 °C, Δε= -6.93, Δn= 0.217.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2305627, 2011, A1 Location in patent: Page/Page column 47; 49

11
[ 126163-56-2 ]
4-hydroxymethyl-[4-pentyl-(2,3-difluorophenyl)cyclohexyl]-cyclohexane [ No CAS ]
2,3-difluoro-4-ethoxy-[trans-4-{(trans-4-pentylcyclohexyl)-2,3-difluorophenyl}cyclohexylmethyl]benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65.3%	With potassium phosphate In N,N-dimethyl-formamide at 70℃; for 7h; Inert atmosphere;	6.8 Eighth step: 4-Ethoxy-2,3-difluorophenol (34) (0.96 g) and tripotassium phosphate (K3PO4; 7.4 g) were added to DMF (100 ml) under a nitrogen atmosphere, and the mixture was stirred at 70 °C. Then, the compound (41) (2.0 g) was added thereto and the mixture was stirred at 70 °C for 7 hours. After the reaction mixture obtained had been cooled to 30 °C, solids were separated by filtration, and then toluene (100 ml) and water (100 ml) were added to and mixed with the filtrate. The mixture was then allowed to stand until it had separated into two phases of organic and aqueous phases, and extraction into an organic phase was carried out. The organic phase obtained was fractionated, washed with brine, and then dried over anhydrous magnesium sulfate. Then, the solvent was distilled off under reduced pressure, and the residue obtained was purified with a fractional operation by means of column chromatography using toluene as the eluent and silica gel as the stationary phase powder. The product was further purified by means of recrystallization from a mixed solvent of Solmix A-11 and ethyl acetate (Solmix A-11: ethyl acetate= 2:1 by volume) and dried, giving 1.8 g of 2,3-difluoro-4-ethoxy-[trans-4-{(trans-4-pentylcyclohexyl)-2,3-difluorophenyl}cyclohexylmethyl]benzene (No. 3823). The yield based on the compound (42) was 65.3%. The chemical shift δ (ppm) of 1H-NMR analysis was as follows, and the obtained compound was identified as 2,3-difluoro-4-ethoxy-[trans-4-{(trans-4-pentylcyclohexyl)-2,3-difluorophenyl}cyclohexylmethyl]benzene (No. 3823). The solvent for measurement was CDCl3. Chemical shift δ (ppm); 6.88(m, 2H), 6.62(m, 2H), 4.06(q, 2H), 3.83(d, 2H), 2.86(tt, 1H), 2.79(tt, 1H), 2.04(m, 2H), 1.93(m, 2H), 1.85(m, 5H), 1.59-1.38(m, 7H), 1.36-1.27(m, 11H), 1.04(m, 2H) and 0.89(t, 3H). Measured values of the compound itself were used for the transition temperature, and values converted from the measured values of the sample, in which the compound was mixed with the mother liquid crystals (i), by means of the extrapolation method described above were used for the maximum temperature (TNI), the dielectric anisotropy (Δε) and the optical anisotropy (Δn). The physical property values of the compound (No. 3823) were as follows. Transition temperature: C1 -33.1 C2 91.5 N 209.3 I. TNI= 179.3 °C, Δε= -6.10, Δn= 0.134.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2305627, 2011, A1 Location in patent: Page/Page column 50; 52

12
[ 126163-56-2 ]
(4-(6-propyldecahydronaphthalene-2-yl)cyclohexyl)methyl p-toluenesulfonate [ No CAS ]
2-(4-((4-ethoxy-2,3-difluorophenoxy)methyl)cyclohexyl)-6-propyldecahydronaphthalene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 5h;	2 Eleventh step (4-(6-Propyldecahydronaphthalene-2-yl)cyclohexyl)methyl p-toluenesulfonate (3.5 g) prepared in the tenth step was dissolved in DMF (50 ml). 4-Ethoxy-2,3-difluorophenol (1.6 g) and potassium carbonate (2.2 g) were added, and the mixture was stirred at 70 °C for 5 hours. The reaction mixture was washed with water, and dried over anhydrous magnesium sulfate. The DMF was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (eluent: ethyl acetate/n-heptane= 1/20 by volume) and then by recrystallization (solvent: Solmix/n-heptane= 1/4 by volume) to give 2-(4-((4-ethoxy-2,3-difluorophenoxy)methyl)cyclohexyl)-6-propyldecahydronaphthalene (2.1 g). The chemical shift (δ, ppm) in 1H-NMR analysis was described below, and the resulting compound was identified as 2-(4-((4-ethoxy-2,3-difluorophenoxy)methyl)cyclohexyl)-6-propyldecahydronaphthalene. The solvent for measurement was CDCl3. Chemical shift (δ ppm): 6.60(m, 2H), 4.05(q, 2H), 3.75(d, 2H) and 2.0-0.5(m, 36H). The phase transition temperature of the resulting compound (No. 68) was as follows. Transition temperature: C 60.3 N 189.5 Iso.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2468707, 2012, A1 Location in patent: Page/Page column 44

13
[ 126163-56-2 ]
(6-propyldecahydronaphthalene-2-yl)methyl p-toluenesulfonate [ No CAS ]
2-((4-ethoxy-2,3-difluorophenoxy)methyl)-6-propyl-decahydronaphthalene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 5h;	1 Ninth step: (6-Propyldecahydronaphthalene-2-yl)methyl p-toluenesulfonate (3.0 g) obtained in the eighth step was dissolved in DMF (50 ml). 4-Ethoxy-2,3-difluorophenol (1.4 g) and potassium carbonate (2.2 g) were added, and the mixture was stirred at 60 °C for 5 hours. The reaction mixture was washed with water, and dried over anhydrous magnesium sulfate. The DMF was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (eluent: ethyl acetate/n-heptane= 1/20 by volume) and then by recrystallization (solvent: Solmix/n-heptane= 1/4 by volume) to give 2-((4-ethoxy-2,3-difluorophenoxy)methyl)-6-propyldecahydronaphthalene (1.8 g). The chemical shift (δ, ppm) in 1H-NMR analysis was described below, and the resulting compound was identified as 2-((4-ethoxy-2,3-difluorophenoxy)methyl)-6-propyldecahydronaphthalene. The solvent for measurement was CDCl3. Chemical shift (δ ppm): 6.60(m, 2H), 4.14(q, 2H), 3.77(d, 2H) and 1.9-0.8(m, 26H). The phase transition temperature of the resulting compound (No. 3) was as follows. Transition temperature: C 73.5 (N 61.4) Iso.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2468707, 2012, A1 Location in patent: Page/Page column 42

14
[ 126163-56-2 ]
2,2-difluoro-3-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propyl 4-methylbenzenesulfonate [ No CAS ]
4-(3-(4-ethoxy-2,3-difluorophenoxy)-2,2-difluoropropyl)-4'-propyl-1,1'-bi(cyclohexane) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
36.3%	Stage #1: 4-ethoxy-2,3-difluorophenol With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere; Stage #2: 2,2-difluoro-3-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propyl 4-methylbenzenesulfonate In N,N-dimethyl-formamide at 100℃; for 40h; Inert atmosphere;	3.6 Sixth step To a reaction vessel under a nitrogen atmosphere, 2.8 g of potassium carbonate, 1.8 g of 4-ethoxy-2,3-difluorophenol (e-7) and 60 ml of DMF were added, and the resultant mixture was heated to 60°C and stirred for 1 hour. Thereto, 4.3 g of 2,2-difluoro-3-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propyl 4-methylbenzenesulfonate (e-19) dissolved in 40 ml of DMF was added dropwise, and the resultant mixture was heated to 100°C and stirred for 40 hours. The mixture was then cooled to 25°C, 200 ml of water and 200 ml of toluene were added to separate the mixture into an organic layer and an aqueous layer, and an extraction operation was performed. The resultant organic layer was isolated, and washed with water, and then the resultant solution was dried over anhydrous magnesium sulfate. The resultant solution was concentrated under reduced pressure, the resultant residue was purified by a preparative isolation operation by means of column chromatography using a mixed solvent of heptane and ethyl acetate (heptane : ethyl acetate = 10 : 1 in a volume ratio) as an eluent and silica gel as a filler. Furthermore, the resultant mixture was purified by recrystallization from heptane, and the resultant product was dried, and thus 1.5 g of 4-(3-(4-ethoxy-2,3-difluorophenoxy)-2,2-difluoropropyl)-4'-propyl-1,1'-bi (cyclohexane) (No. 78) was obtained. A yield based on compound (e-19) was 36.3%. [0201] A chemical shift δ (ppm) according to 1H-NMR analysis was as described below, and the compound obtained could be identified to be 4-(3-(4-ethoxy-2,3-difluorophenoxy)-2,2-difluoropropyl)-4'-propyl-1,1'-bi(cyclohexane) (No. 78). In addition, a solvent for measurement was CDCl3. [0202] Chemical shift δ (ppm); 6.70 - 6.61 (m, 2H), 4.13 - 4.05 (m, 4H), 1.94 - 1.88 (m, 4H), 1.75 - 1.67 (m, 6H), 1.44 - 1.42 (t, 3H), 1.33 - 1.26 (m, 2H), 1.14 - 1.12 (m, 4H), 1.06 - 0.91 (m, 8H), 0.88 - 0.80 (m, 5H). [0203] A transition temperature of compound (No. 78) obtained was as described below. Transition temperature: C 92.3 (SA 72.1 N 83.6) I.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2617701, 2013, A1 Location in patent: Paragraph 0194; 0200-0203

15
[ 126163-56-2 ]
(3-(4-ethoxy-2,3-difluorophenoxy)-1-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propoxy)trimethylsilane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran; toluene / 1 h / -10 - 25 °C / Inert atmosphere 2: 1H-imidazole / dichloromethane / 2 h / 0 - 25 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2617701, 2013, A1

16
[ 126163-56-2 ]
4-(3-(4-ethoxy-2,3-difluorophenoxy)-1-fluoropropyl)-4'-propyl-1,1'-bi(cyclohexane) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran; toluene / 1 h / -10 - 25 °C / Inert atmosphere 2: 1H-imidazole / dichloromethane / 2 h / 0 - 25 °C / Inert atmosphere 3: diethylamino-sulfur trifluoride / dichloromethane / 15 h / -74 - 25 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2617701, 2013, A1

17
[ 126163-56-2 ]
1-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propane-1,3-diol [ No CAS ]
3-(4-ethoxy-2,3-difluorophenoxy)-1-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propan-1-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75.2%	With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at -10 - 25℃; for 1h; Inert atmosphere;	4.1 Fifth step To a reaction vessel under a nitrogen atmosphere, 3.5 g of 1-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propane-1,3-diol (e-20), 2.3 g of 4-ethoxy-2,3-difluorophenol (e-7), 3.4 g of triphenyl phosphine and 70 ml of THF were added, and the resultant mixture was cooled to -10°C. Thereto, 6.0 ml of toluene solution of 2.2 M DAED DEAD was added dropwise in a temperature range of -10°C to 0°C. Then, the resultant mixture was heated to 25°C and stirred for 1 hour, 200 ml of water and 200 ml of ethyl acetate were added to separate the mixture into an organic layer and an aqueous layer, and an extraction operation was performed. The resultant organic layer was isolated, and washed with water, and then the resultant solution was dried over anhydrous magnesium sulfate. The resultant solution was concentrated under reduced pressure, the resultant residue was purified by a preparative isolation operation by means of column chromatography using a mixed solvent of toluene and ethyl acetate (toluene : ethyl acetate = 10 : 1 in a volume ratio) as an eluent and silica gel as a filler. Furthermore, the resultant mixture was purified by recrystallization from a mixed solvent of heptane and ethyl acetate (heptane : ethyl acetate = 1 : 1 in a volume ratio), and the resultant product was dried, and thus 4.1 g of 3-(4-ethoxy-2,3-difluorophenoxy)-1-(4'-propyl-[1,1'-bi(cyclohexane )]-4-yl)propan-1-ol (e-21) was obtained. A yield based on compound (e-20) was 75.2%.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2617701, 2013, A1 Location in patent: Paragraph 0207-0208

18
[ 126163-56-2 ]
2-fluoro-3-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propan-1-ol [ No CAS ]
4-(3-(4-ethoxy-2,3-difluorophenoxy)-2-fluoropropyl)-4'-propyl-1,1'-bi(cyclohexane) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.1 g	With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at -10 - 25℃; for 1h; Inert atmosphere;	1.5 Fifth step To a reaction vessel under a nitrogen atmosphere, 1.2 g of 2-fluoro-3-(4'-propyl-[1,1'-bi(cyclohexane)]-4-yl)propan-1-ol (e-6), 0.8 g of 4-ethoxy-2,3-difluorophenol (e-6), 1.2 g of triphenyl phosphine and 10 ml of THF were added, and the resultant mixture was cooled to -10°C. Thereto, 2.0 ml of toluene solution of 2.2 M DEADDAED was added dropwise in a temperature range of -10°C to 0°C. Then, the resultant mixture was heated to 25°C and stirred for 1 hour. Subsequently, 100 ml of water and 100 ml of ethyl acetate were added to separate the mixture into an organic layer and an aqueous layer, and an extraction operation was performed. The resultant organic layer was isolated, and washed with water, and then the resultant solution was dried over anhydrous magnesium sulfate. The resultant solution was concentrated under reduced pressure, the resultant residue was purified by a preparative isolation operation by means of column chromatography using a mixed solvent of heptane and toluene (heptane : toluene = 2 : 1 in a volume ratio) as an eluent and silica gel as a filler. Furthermore, the resultant mixture was purified by recrystallization from a mixed solvent of heptane and Solmix A-11 (registered trademark) (Japan Alcohol Trading company, Ltd.) (heptane : Solmix = 1 : 1 in a volume ratio), and the resultant product was dried, and thus 1.1 g of 4-(3-(4-ethoxy-2,3-difluorophenoxy)-2-fluoropropyl)-4'-propyl-1,1' -bi(cyclohexane) (No. 56) was obtained. [0176] A chemical shift δ (ppm) according to 1H-NMR analysis was as described below, and the compound obtained could be identified to be 4-(3-(4-ethoxy-2,3-difluorophenoxy)-2-fluoropropyl)-4'-propyl-1,1' -bi (cyclohexane) (No. 56). In addition, a solvent for measurement was CDCl3. [0177] Chemical shift δ (ppm); 6.69 - 6.60 (m, 2H), 4.99 - 4.83 (m, 1H), 4.12 - 4.01 (m, 4H), 1.90 - 1.68 (m, 9H), 1.49 - 1.37 (m, 5H), 1.33 - 1.25 (m, 3H), 1.14 - 1.12 (m, 3H), 1.01 - 0.92 (m, 9H), 0.87 (t, 3H). [0178] A transition temperature of compound (No. 56) obtained was as described below. Transition temperature: C 66.9 SB 86.0 N 136.5 I.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - EP2617701, 2013, A1 Location in patent: Paragraph 0170; 0175-0178

19
[ 126163-56-2 ]
C₁₂H₂₂O₂ [ No CAS ]
2-(4-propylcyclohexyl)-3-((2,3-difluoro-4-ethoxyphenoxy)methyl)oxirane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 8h; Inert atmosphere;	General procedure for Mitsunobu couplings. 2-(4-propylcyclohexyl)-3-((4-propylphenoxy)methyl)oxirane 13a: General procedure: A solution of diisopropylazodicarboxylate DIAD (2.35 mL, 11.93 mmol) in THF (3.0mL) was dropwise added at 0 °C to a solution of triphenylphosphine (3.13 g, 11.93 mmol), epoxy alcohol 11(2.15 g, 10.85 mmol), and 4-propylphenol 12 (1.625 g, 11.93 mmol) in dry THF (20.0 mL) under an argon atmosphere, and the resulting cloudy mixture was stirred for 8 h at room temperature. The reaction mixture was triturated with cold pentane (20 mL) to remove the majority of the triphenylphosphine oxide byproduct by filtration. The filtrate was concentrated in vacuo and the crude yellow solid was subjected to silica column chromatography (petroleum ether 40-60 °C/dichloromethane 9:1 to 7:3) to afford the title compound 13a (3.05 g, 89%) as a colorless oil that gradually crystallized upon standing at room temperature to a white solid;

Reference： [1]Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M.Z.; O'Hagan, David [Tetrahedron, 2014, vol. 70, # 31, p. 4626 - 4630]

20
[ 126163-56-2 ]
C₁₅H₁₇F₂OS₂⁽¹⁺⁾*CF₃O₃S^(1-) [ No CAS ]
C₂₀H₁₈F₆O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	Stage #1: 4-ethoxy-2,3-difluorophenol; C₁₅H₁₇F₂OS₂⁽¹⁺⁾*CF₃O₃S^(1-) With triethylamine In dichloromethane at -70℃; for 1.08333h; Stage #2: With bromine; triethylamine tris(hydrogen fluoride) In dichloromethane at -70℃;	4.4 Step 4 Added in the reaction bottle 0.1mol ethoxy -2,3-difluoro-phenol (reactant), 0.1mol triethylamine (reactant) and 130 ml dichloromethane (solvent) and the mixed solution of cooling to -70 °C, dropping the above-mentioned 0.1mol (4-c) of the crystal (reactant) 120 ml dichloromethane (solvent) solution, 45 minutes after adding, in this temperature after stirring for one hour, 5 minutes before adding 0.4molNEt 3 · 3HF (reactant). Then at -70 ° C lower, one hour by adding 0.4mol of liquid bromine (reactant) 30 ml dichloromethane (solvent) solution, then at -70 ° C to continue the reaction for one hour, the temperature is increased to 0 °C, the reaction solution is poured into the 32% of 160 ml of aqueous sodium hydroxide solution (adjusted value PH) and 300g in ice, by dropping some 45g32% sodium hydroxide aqueous solution of the reaction solution is adjusted to value PH 5-8. For the aqueous phase after transferring 80 ml dichloromethane (solvent) extracting, combined organic phase with 4g infusorial earth (decolourant) filtering, washing, solvent evaporation to dryness under reduced pressure. Column chromatography of the crude product obtained after recrystallization petroleum ether (solvent), to obtain white crystal product (4-d), the yield is 45%, GC: 99.5%.

Reference： [1]Current Patent Assignee: CHENGZHI SHAREHOLDING CO., LTD. - CN103319444, 2016, B Location in patent: Paragraph 0179; 0180; 0190; 0191; 0192; 0193; 0194; 0195

21
[ 126163-56-2 ]
4-(4-propylcyclohexyl)phenoxy-2,2-difluoroethyl 4-methylbenzenesulfonate [ No CAS ]
(4-(trans-4-propylcyclohexyl)phenoxy-2,2-difluoroethoxy)-2,3-difluoro-4-ethoxybenzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.25 g	With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide for 4h; Inert atmosphere; Reflux;	1.4 synthesis of (4-(trans-4-propylcyclohexyl)phenoxy-2,2-difluoroethoxy)-2,3-difluoro-4-ethoxybenzene(compound (1-3-3-3)) To 2.1 g of 4-ethoxy-2,3-difluorophenol [compound (r-5)] dissolved in 50 mL of DMF under a nitrogen atmosphere were added 1.64 g of potassium carbonate, 0.38 g of tetrabutylammonium bromide (TBAB) was added, and 4.5 g of the compound (r-4) dissolved in 20 mL of DMF was added thereto, followed by stirring under reflux for 4 hours. Water was added dropwise to quench the reaction. After extraction with toluene, the organic layers were combined, and the organic layer was washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was removed under reduced pressure, and the obtained residue was purified by a preparative operation with silica gel column chromatography (eluent: hepin / toluene = 1/1 (volume ratio)), and further added with heptane / Solmix (registered trademark) A -11 = 1/2 (volume ratio) to obtain 1.25 g of trans-4- (2- (4- (trans-4-propylcyclohexyl) phenoxy) -2,2-difluoroethoxy) -2,3-difluoroethoxybenzene [compound (1-3-3-3)] was obtained.

Reference： [1]Current Patent Assignee: CHISSO CORPORATION - JP5929781, 2016, B2 Location in patent: Paragraph 0233; 0234; 0238

22
[ 126163-56-2 ]
4-cyclopentylcyclohexylcarboxylic acid [ No CAS ]
C₂₀H₂₆F₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%	With dmap; dicyclohexyl-carbodiimide In 1,2-dichloro-ethane at 0 - 20℃; for 4h;	2 11.7 g (0.06 mol) 4 - cyclopentyl-cyclohexylcarboxylic acid (2-b, n = 0) to the 100 ml dichloroethane was dissolved, 12.4 g (0.06 mol) DCC (N, N- dicyclohexylcarbodiimide) and the addition of 0.1 g DMAP at 0 and then, 20 ml of dichloroethane, 8.7 g (0.05 mol) It was added dropwise a solution of 2,3-difluoro-4-ethoxyphenol, and then, The reaction was carried out for 4 hours at room temperature with stirring. Filtering the precipitated by-product DCU, and evaporated the filtrate under reduced pressure to completely remove the solvent, was dissolved in petroleum ether and purified, and re-evaporated under reduced pressure by silica gel column chromatography to remove the solvent completely, and ethanol (100 ml x 3) was obtained by recrystallization from a 13.4 g of white crystals having a purity of 99.93% Gc. Yield: 76%.

Reference： [1]Current Patent Assignee: CHENGZHI SHAREHOLDING CO., LTD. - KR2015/86177, 2015, A Location in patent: Paragraph 0163-0165

23
[ 126163-56-2 ]
4-cyclopentylcyclohexylmethyl bromide [ No CAS ]
C₂₀H₂₈F₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
58%	With potassium carbonate In ethanol for 4h; Reflux;	3 8.7g (0.05 mol) 2,3-di-fluoro-4-ethoxy phenol and 8.3 g (0.06 mol) of potassium carbonate in a 250 ml three-necked flask was charged, and then, the solvent 60 ml of ethanol were added and stirred while heating under reflux, It was. 30 ml of ethanol 13.8 g 4-cyclopentyl cyclohexyl bromide (2-a, n = 0) was added dropwise a solution of the following was refluxed for an additional 4 hours after the addition. The reaction solution was poured into 200 ml water and extracted with diethyl ether. To, and wash the organic phase with water, evaporated to completely remove the solvent, it was dissolved in petroleum ether and purified by silica gel column chromatography, and the solvent is completely removed by evaporation, and then recrystallized from 120 ml of ethanol 9.8 g to give a white crystal. Gc:. 99.90% Yield: 58%.

Reference： [1]Current Patent Assignee: CHENGZHI SHAREHOLDING CO., LTD. - KR2015/86177, 2015, A Location in patent: Paragraph 0169-0171

24
[ 126163-56-2 ]
4-ethoxy-2,3-difluorophenyl((4-propylphenyl)ethyl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: diisopropyl-carbodiimide; dmap / dichloromethane / 4 h / 10 - 20 °C / Inert atmosphere 2.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 1 h / -5 °C / Inert atmosphere 2.2: 1 h / 0 °C / Inert atmosphere 3.1: 5%-palladium/activated carbon; hydrogen / tetrahydrofuran; ethanol / 8 h / 2250.23 Torr / Autoclave

Reference： [1]Current Patent Assignee: DIC CORP. - JP2016/30754, 2016, A

25
[ 126163-56-2 ]
4-ethoxy-2,3-difluorophenyl-4-(4-propylstyryl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: diisopropyl-carbodiimide; dmap / dichloromethane / 4 h / 10 - 20 °C / Inert atmosphere 2.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 1 h / -5 °C / Inert atmosphere 2.2: 1 h / 0 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: DIC CORP. - JP2016/30754, 2016, A

26
[ 126163-56-2 ]
[ 62856-46-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: diisopropyl-carbodiimide; dmap / dichloromethane / 4 h / 10 - 20 °C / Inert atmosphere 2: triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide

Reference： [1]Current Patent Assignee: DIC CORP. - JP2016/30754, 2016, A

27
[ 126163-56-2 ]
C₂₇H₂₆F₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: diisopropyl-carbodiimide; dmap / dichloromethane / 4 h / 10 - 20 °C / Inert atmosphere 2: triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide 3: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran

Reference： [1]Current Patent Assignee: DIC CORP. - JP2016/30754, 2016, A

28
[ 126163-56-2 ]
[ 619-66-9 ]
4-(4-ethoxy-2,3-difluorophenyl)formylbenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; diisopropyl-carbodiimide In dichloromethane at 10 - 20℃; for 4h; Inert atmosphere;	7 In a nitrogen atmosphere, a reaction vessel equipped with a stirrer, a condenser, and a thermometer, was charged with telerataldehyde acid 13.5 g of terephthalaldehyde acid, 15.7 g of 4-ethoxy-2,3-difluorophenol, 100 ml of dimethylaminopyridine and 100 ml of dichloromethane were charged in a reaction vessel equipped with a stirrer, a condenser and a thermometer, Is stirred while keeping it at 10 ° C. or lower. 15 g of diisopropylcarbodiimide are then added dropwise. After completion of the dropwise addition, the reactor was returned to room temperature and stirred for 4 hours. After completion of the reaction, dichloromethane was added, and the organic layer was washed with diluted hydrochloric acid, water (1 L) and saturated brine. The organic layer was dried by adding anhydrous sodium sulfate, and then the organic solvent was distilled off under reduced pressure to obtain 4- (4-ethoxy-2,3-difluorophenyl) formylbenzoate (11). Then, under a nitrogen atmosphere,(4-propylbenzyl) triphenylphosphonium bromide (33 g) and 100 mL of tetrahydrofuran was placed in a reaction vessel equipped with a stirrer, a condenser and a thermometer. The reaction vessel was cooled to -5 ° C., potassium t-butoxide (13.4 g) was slowly added and stirred for 1 hour. The reaction vessel was kept at 0 ° C., 50 mL of tetrahydrofuran of 4- (4-ethoxy-2,3-difluorophenyl) formylbenzoate (12) was added dropwise and stirred for 1 hour. Tetrahydrofuran was distilled off under reduced pressure, toluene (300 mL), hexane (200 mL) and water (500 mL) were added and the mixture was washed with water, and the organic layer was washed with saturated brine (500 mL). After drying with anhydrous sodium sulfate, the organic solvent was distilled off under reduced pressure to obtain 19 g of 4-ethoxy-2,3-difluorophenyl-4- (4-propylstyryl) benzoate shown in (i-3)

Reference： [1]Current Patent Assignee: DIC CORP. - JP2016/30754, 2016, A Location in patent: Paragraph 0100; 0101

29
[ 212386-71-5 ]
[ 126163-56-2 ]

Yield	Reaction Conditions	Operation in experiment
90.8%		second step: the water system in the previous step, start stirring to control the temperature at 20-25 C and add 59.5g (0.525mol) of 30.0% hydrogen peroxide dropwise. After the dropwise addition, the temperature is kept for 2.0 hours. The detection of 2,3-difluoro-4-methoxybenzeneboronic acid in the liquid phase of sample delivery is less than 0.2%. After the reaction was completed, the pH value of the 15% aqueous hydrochloric acid solution was adjusted to 6-7, and the crude product was obtained by suction filtration. After distillation, 63.2g (0.36mol) of 2,3-difluoro-4-ethoxyphenol was obtained. The yield was 90.8% and the purity was 99.97%. . The maximum impurity in gas phase detection is 37ppm.
69.8%		2) In a 1 L four-reaction vessel, 326.7 g of tetrahydrofuran and 132.9 g of glacial acetic acid were added, stirred for 30 min,Adding 110.0g 2.3-difluoro-4-ethoxybenzeneboronic acid crude, stirring for half an hour, the control temperature between 15 ~ 25 C,Dropping 111. 1 g of hydrogen peroxide, stirring was added dropwise insulation lh, sample testing, raw material residue 0.15%To the vessel was added water 200.0g and 15. lg sodium sulfite treatment, stratification, the upper organic phase rejection rate was 2.3-difluoro-4-ethoxy phenol crude 85.0g, distilled product 64.8g, GC purity: 99 ? 96 %, Two-step yield 69 ? 8%

Reference： [1]Patent: CN110922306,2020,A .Location in patent: Paragraph 0030; 0033; 0034; 0037; 0038; 0041
[2]Patent: CN105949040,2016,A .Location in patent: Paragraph 0019

30
[ 126163-56-2 ]
[ 101567-67-3 ]
C₁₆H₂₂F₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	Stage #1: 4-ethoxy-2,3-difluorophenol; 3-propylcyclopentanol With triphenylphosphine In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: With di-isopropyl azodicarboxylate In tetrahydrofuran at 20℃; for 14h;	Second stage reaction, synthesis of liquid crystal compound of formula (I-1) 1.28 g (10 mmol) of compound 1, 2.09 g (12 mmol) of 4-ethoxy-2,3-di 4-ethoxy-2,3-difluoro-phenol and 3.93 g (15 mmol) of triphenylphosphine (PPh3) were placed in a 250 mL double-necked flask, and tetrahydrofuran was added and uniformly After mixing, the reaction was carried out for 15 minutes at room temperature under a nitrogen atmosphere, and then 3.03 g (15 mmol) of diisopropyl azodicarboxylate (DIAD) was slowly added dropwise to the flask, and then at room temperature. The reaction was carried out for 14 hours. After the reaction was completed, the solvent was removed by a reduced pressure concentrator to leave a product, and a small amount of dichloromethane was added to dissolve the product to form a solution, and the solution was slowly dropped into a 10-fold amount of n-hexane to precipitate a solid, followed by evacuation. The solid was removed by filtration, the filtrate was collected, and the solvent in the filtrate was removed by a reduced pressure concentrator, and then purified by column chromatography (the ratio of the extract was ethyl acetate: n-hexane = 1:5), 1.42 g of product is obtained, the yield is 50%

Reference： [1]Current Patent Assignee: DAXIN MATERIALS CORPORATION - TW2019/14988, 2019, A Location in patent: Paragraph 0030; 0032

31
1-ethoxy-2,3-difluorobenzene [ No CAS ]
[ 126163-56-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -85 - -75 °C / Inert atmosphere 1.2: 2 h / -85 - -75 °C 2.1: dihydrogen peroxide / water / 2 h / 20 - 25 °C 2.2: pH 6 - 7
	Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; cyclohexane / 2 h / -70 - -60 °C / Inert atmosphere 1.2: 2 h / -70 - -60 °C 2.1: dihydrogen peroxide / water / 2 h / 20 - 25 °C 2.2: pH 6 - 7

Reference： [1]Current Patent Assignee: CHINA SYNCHEM TECH - CN110922306, 2020, A
[2]Current Patent Assignee: CHINA SYNCHEM TECH - CN110922306, 2020, A

32
[ 126163-56-2 ]
C₂₅H₃₃NO₃S [ No CAS ]
C₂₆H₃₃F₂NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34 g	With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 8h; Inert atmosphere;	3.1.11 Step 1.11 Under nitrogen protection,Add to three-necked bottle28.3g 2,3-difluoro-4-ethoxyphenol (0.15mol),41.4g potassium carbonate (0.3mol),200mlDMF,4.84g tetrabutylammonium bromide (0.015mol),Stir and heat to 120°C,Drop 42g1-3a (0.15mol) dissolved in 60ml DMF solution,After the addition, the temperature was raised to reflux for 8 hours.Stop the reaction,Cool down naturally to room temperature.Add toluene and water,Stir to separate layers.Extract the water phase with toluene once,The organic phase is washed with water and neutral and dry,Pass through a silica gel column and concentrate in vacuo.Ethanol crystallized to obtain 34 g of white powder product TM-1.

Reference： [1]Current Patent Assignee: YANTAI XIANHUA CHEM-TECH CO LTD - CN111574405, 2020, A Location in patent: Paragraph 0066; 0075; 0076; 0107; 0108; 0109

33
[ 126163-56-2 ]
C₂₄H₃₄O₃S [ No CAS ]
C₂₅H₃₄F₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
100 g	With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 8h; Inert atmosphere;	4.2.10 Step 2.10 Under nitrogen protection,Add to three-necked bottle56.6g 2,3-difluoro-4-ethoxyphenol,84g anhydrous potassium carbonate,400mlDMF,9.6g tetrabutylammonium bromide,Stir and heat to 120°C,Add a solution of 84g intermediate 2-3a dissolved in 120ml DMF,After the addition, the temperature was raised to reflux for 8 hours.Stop the reaction,Cool down naturally to room temperature.Add toluene and water,Stir to separate layers.Extract the water phase with toluene once,The organic phase is washed with water and neutral and dry,Through a silica gel column,Concentrated in vacuo.Ethanol crystallized to obtain 100 g of white powder TM-2.

Reference： [1]Current Patent Assignee: YANTAI XIANHUA CHEM-TECH CO LTD - CN111574405, 2020, A Location in patent: Paragraph 0112; 0119; 0120; 0149; 0150; 0151

34
[ 126163-56-2 ]
C₂₅H₃₆O₃S [ No CAS ]
C₂₆H₃₆F₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50 g	With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 8h; Inert atmosphere;	5.3.4 Step 3.4 Under nitrogen protection,Add 28.3g of 2,3-difluoro-4-ethoxyphenol to the three-necked flask,41.4g potassium carbonate,200mlDMF,4.84g tetrabutylammonium bromide,Stir and heat to 120°C,Drop 62g3-3a dissolved in 60ml DMF solution,After the dripping is completed, the temperature is raised to reflux for 8 hours,Stop the reaction,Cool down naturally to room temperature.Add toluene and water,Stir to separate layers.Extract the water phase with toluene once,The organic phase is washed with water and neutral and dry,Through a silica gel column,Concentrated in vacuo.Ethanol crystallized to obtain 50 g of white powder product TM-3.

Reference： [1]Current Patent Assignee: YANTAI XIANHUA CHEM-TECH CO LTD - CN111574405, 2020, A Location in patent: Paragraph 0154; 0159; 0160; 0170; 0171; 0172

35
[ 126163-56-2 ]
methyl (4-(4-methyl-3-pentenyl)-3-cyclohexenyl)-4-methylbenzenesulfonate [ No CAS ]
1-ethoxy-2,3-difluoro-4-((4-(4-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
12 g	Stage #1: 4-ethoxy-2,3-difluorophenol With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 0.5h; Inert atmosphere; Stage #2: methyl (4-(4-methyl-3-pentenyl)-3-cyclohexenyl)-4-methylbenzenesulfonate In N,N-dimethyl-formamide at 100℃; for 0.5h; Inert atmosphere;	2.3 Step 3. Preparation of 1-ethoxy-2,3-difluoro-4-((4-(4-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene A 1000ml four-necked flask is equipped with a thermometer, mechanically stirred, and nitrogen is supplied. Add 36.6g of 2,3-difluoro-4-ethoxyphenol to the system, 58g potassium carbonate, 150ml DMF, adjust the pH to 9 - 11, heat to about 65 °C , after about 0.5h, Add 73g of the sulfonate obtained in step 2 and 150ml of DMF in batches, raise the temperature to 100°C and react for 0.5h, The reaction was stopped, the temperature was lowered, ethyl acetate and water were added to the system for layered extraction, and the organic phases were combined. Washed with water to neutrality, dried with anhydrous magnesium sulfate, filtered and concentrated to remove the solvent to obtain 85g of oil, diluted with n-hexane through the separation column, collected the product, and dried by methanol recrystallization to obtain 12g of liquid with a content of 99.85% or more 1-Ethoxy-2,3-difluoro-4-((4-(4-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene.

Reference： [1]Current Patent Assignee: JINGMEISHENG PHOTOELECTRIC MAT NANJING - CN112707798, 2021, A Location in patent: Paragraph 0055-0056; 0058-0060

36
[ 126163-56-2 ]
[ 34626-51-2 ]
C₁₃H₁₈F₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
28.3 g	With sodium hydroxide In toluene at 50 - 60℃; for 1h;	2 Preparation method: The compound 5-bromopentyl-1-ol 26.72g, NaOH 6g, toluene 40g,Put 25.7g of 4-ethoxy-2,3-difluorophenol into a three-necked flask,After the reaction was kept at 5060 for 1h, the reaction was stopped. The reaction liquid is extracted,After distillation, 28.3 g of compound (I) was obtained.

Reference： [1]Current Patent Assignee: SHANDONG SHENGHUA ELECTRONIC NEW MAT; SHANDONG SHENGHUA NEW MATERIAL TECHNOLOGY CO LTD; LAIYANG SHENGHUA ELECTRONIC MAT - CN112920027, 2021, A Location in patent: Paragraph 0008; 0029-0032

37
[ 126163-56-2 ]
C₁₃H₁₇BrF₂O₂ [ No CAS ]
C₂₁H₂₄F₄O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34.8 g	With sodium hydroxide In toluene at 50 - 60℃; for 1h;	1 Compound 36g, NaOH 11.8g, toluene 36g,Put 51.4g of 4-ethoxy-2,3-difluorophenol into a three-necked flask,After the reaction was kept at 5060 for 1h, the reaction was stopped. After the reaction liquid was extracted and distilled, 34.8 g of the target compound of Example 1 was obtained.

38
[ 126163-56-2 ]
C₂₁H₂₄F₄O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium hydroxide / toluene / 1 h / 50 - 60 °C 2: N-Bromosuccinimide; triphenylphosphine / dichloromethane / 3 h / 10 - 15 °C 3: sodium hydroxide / toluene / 1 h / 50 - 60 °C

Reference： [1]Current Patent Assignee: SHANDONG SHENGHUA ELECTRONIC NEW MAT; SHANDONG SHENGHUA NEW MATERIAL TECHNOLOGY CO LTD; LAIYANG SHENGHUA ELECTRONIC MAT - CN112920027, 2021, A

39
[ 126163-56-2 ]
C₁₃H₁₇BrF₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium hydroxide / toluene / 1 h / 50 - 60 °C 2: N-Bromosuccinimide; triphenylphosphine / dichloromethane / 3 h / 10 - 15 °C

Reference： [1]Current Patent Assignee: SHANDONG SHENGHUA ELECTRONIC NEW MAT; SHANDONG SHENGHUA NEW MATERIAL TECHNOLOGY CO LTD; LAIYANG SHENGHUA ELECTRONIC MAT - CN112920027, 2021, A

40
[ 126163-56-2 ]
C₂₃H₂₈F₄O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium hydroxide / toluene / 1 h / 50 - 60 °C 2: N-Bromosuccinimide; triphenylphosphine / dichloromethane / 3 h / 10 - 15 °C 3: sodium hydroxide / toluene / 1 h / 50 - 60 °C

Reference： [1]Current Patent Assignee: SHANDONG SHENGHUA ELECTRONIC NEW MAT; SHANDONG SHENGHUA NEW MATERIAL TECHNOLOGY CO LTD; LAIYANG SHENGHUA ELECTRONIC MAT - CN112920027, 2021, A

41
[ 536-57-2 ]
[ 126163-56-2 ]
2,3-difluoro-5-tosylbenzene-1,4-diol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
36%	With lithium perchlorate In acetonitrile at 20℃; for 6h; Electrochemical reaction; Inert atmosphere;

Reference： [1]Sun, Xue; Zhang, Fanjun; Yan, Kelu; Feng, Wenfeng; Sun, Xuejun; Yang, Jianjing; Wen, Jiangwei [Advanced Synthesis and Catalysis, 2021, vol. 363, # 14, p. 3485 - 3490]

42
4-(4-propylcyclohexyl)cyclohexyl-methanol [ No CAS ]
[ 126163-56-2 ]
4-(4-Ethoxy-2,3-difluoro-phenoxymethyl)-4'-propyl-bicyclohexyl [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86.8%	With di-isopropyl azodicarboxylate; triphenylphosphine at 50 - 80℃; for 5h; Green chemistry;	1; 1; 2; 2; 3; 3; 4; 4 Example 2 Add to a 500mL three-necked flask30g (4'-propyl-[1,1'-bis(cyclohexane)]-4-yl)methanol, 23g 4-ethoxy-2,3-difluorophenol, 35.31g triphenylphosphine and 180 mL of isododecane, evacuated three times with nitrogen, heated to 50 °C with stirring, slowly added dropwise 28 g of diisopropyl azodicarboxylate (DIAD) to the aforementioned solution, after the dropwise addition, the temperature was raised to 80 °C, The reaction was carried out for 5 hours. The reaction solution was filtered while hot, the filtrate was frozen at -10°C for 4 hours, filtered under reduced pressure, and the filter cake was dried to obtain 43.1 g of white solid, GC: 97.3%, yield: 86.8%.

Reference： [1]Current Patent Assignee: SHANGHAI PHICHEM MATERIAL COMPANY LIMITED - CN114426466, 2022, A Location in patent: Paragraph 0042-0066

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P321
P322
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P378
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
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H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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Code	Phrase
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H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H310	Fatal in contact with skin
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H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ 126163-56-2 ] Synthesis Path-Downstream 1~42

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Fluorinated Building Blocks

Aryls

Ethers

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[ 126163-56-2 ]