[ CAS No. 3245-23-6 ] {[proInfo.proName]}

Name: 3245-23-6|4-Ethylphenyl acetate|96%
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CAS No. :	3245-23-6	MDL No. :	MFCD00026970
Formula :	C₁₀H₁₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ANMYMLIUCWWISO-UHFFFAOYSA-N
M.W :	164.20	Pubchem ID :	76731
Synonyms :

Safety of [ 3245-23-6 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P210-P264-P270-P280-P301+P312-P330-P370+P378-P403+P235-P501	UN#:
Hazard Statements:	H302-H227	Packing Group:
GHS Pictogram:

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* 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.

Upstream synthesis route of [ 3245-23-6 ]
Downstream synthetic route of [ 3245-23-6 ]

[ 3245-23-6 ] Synthesis Path-Upstream 1~1

1
[ 3245-23-6 ]
[ 29976-82-7 ]

Reference： [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 19, p. 4188 - 4201

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Yield	Reaction Conditions	Operation in experiment
96%	With aluminium trichloride 1.) 70 -> 80 deg C, 2 h, 2.) 120 deg C, 40 min;
90%	With aluminium trichloride
66.7%	With aluminum (III) chloride at 130℃; for 2h;	22 Intermediate 55: 1 -(5-ethyl-2-hydroxyphenyl)ethanone To aluminium trichloride (5.07 g, 38.0 mmol) was added 4-ethylphenyl acetate (3.28 g, 20 mmol) dropwise. The mixture was heated to 130 °C for 120 minutes then cooled. The yellow oil was slowly poured into water and extracted with EtOAc (2x80 ml). The combined organic layers were washed with brine, then dried over MgS04 and concentrated in vacuo to give a yellow oil. The oil was purified by silica gel chromatography (hexane/EtOAc = 10/1 ) to obtain the title compound 1 -(5-ethyl-2-hydroxyphenyl)ethanone (2.33 g, 13.34 mmol, 66.7 % yield) as a pale yellow oil. m/z: [M + H]+ Calcd for C10H13O2 165.1 ; Found 164

20.1%	With aluminum (III) chloride In dichloromethane for 10h; Cooling with ice; Reflux;
	With aluminium trichloride
	With aluminium trichloride at 140℃; for 0.25h; Yield given;
	With aluminium trichloride
	Stage #1: p-ethylphenyl acetate With aluminum (III) chloride at 120℃; for 6h; Stage #2: With water Cooling;	2 Synthesis of substituted o-hydroxyacetophenone General procedure: Powdered anhydrous AlCl3 (186 g, 1.4 mol) was added little by little to acetic acid phenyl ester b1 (95.3 g, 0.7 mol) in a round-bottomed flask in an ice-water bath. The resultant mixture was heated to 120 °C for 6 h in an oil bath. Then the reaction mixture was added a lot of crushed ice for hydrolysis. The new formed organic layer in the reaction mixture was extracted by EtOAc, dried over anhydrous Na2SO4, and filtered off by suction filtration. The solvent was removed under reduced pressure to give the crude product, which was then purified by chromatography on silica using petroleum ether/ethyl acetate as the eluent. o-hydroxyacetophenone c1 (20.1 g, 21%) was obtained
	With aluminum (III) chloride at 120℃;
		77.a 6-Ethyl-4-(N-Ethylsulfonyl-N-Methyl)Amino-2,2-Dimethyl-Chroman a) 5-Ethyl-2-hydroxyacetophenone is obtained analogously to the procedure indicated in Example 63 b) from 4-ethylphenyl acetate and anhydrous, active aluminum chloride. Slightly yellowish-colored oil.

Yield	Reaction Conditions	Operation in experiment
72%	With tert.-butylnitrite; N-hydroxyphthalimide; In acetonitrile; at 80℃; for 24h;Schlenk technique;	into a 25mL Schlenk reaction tube added NHPI 1.0equivalent, dried in vacuum for 15 minutes, put on an oxygen sphere, under the oxygen atmosphere followed by adding acetonitrile 1mL, tert-butyl nitrite 2.0 equiv., P-acetoxyethyl benzene 0.5mmol, on the reaction tube add Poly tetra-fluoroethylene plug into the oil bath after the pot, and carry on reaction at 80 C for 24 h. After completion of the reaction, the solvent acetonitrile has been removed by concentration under reduced pressure, column chromatography, the eluent is petroleum ether / ethyl acetate (nu: nu = 10: 1), and then obtained 4-acetoxyacetophenone. Yield 72%, white solid;
69%	With pyridine; dipotassium peroxodisulfate; oxygen; In acetonitrile; at 80℃; under 760.051 Torr; for 16h;Green chemistry;	General procedure: Ethylbenzene (3a) (0.0531 g, 0.5 mmol), K2S2O8 (0.2703 g, 1.0 mmol), pyridine (0.0158 g, 0.2 mmol) and CH3CN (1.0 mL) were added to an oven-dried pressure vessel with a magnetic stir bar. Then the pressure vessel was filled with dioxygen and the reaction mixture was stirred at 80 C for 16 hours (oil bath). After the completion of the reaction, the solvent was evaporated and the reaction mixture was purified with column chromatography (eluenet: ethyl acetate/PE = 1/10) to give acetophenone (4a) (0.0535 g yield 89%).
10%	With (2,2?-bipyridine)Zn(CF3)2; zinc diacetate; copper(l) cyanide; zinc trifluoromethanesulfonate; N-fluorobis(benzenesulfon)imide; at 20℃; for 24h;Sealed tube; Glovebox; Inert atmosphere;	To a dried sealed tube (10 mL) equipped with a Teflon septum and a magneticstirring bar in a glove box were added successively CuCN (1.8 mg, 0.02 mmol), NFSI(189 mg, 0.60 mmol), (bpy)Zn(CF3)2 (144 mg, 0.40 mmol), Zn(OTf)2 (36 mg, 0.1 mmol)and Zn(OAc)2 (18 mg, 0.1 mmol). The solution of 4-ethylphenyl acetate (3a, 33mg,0.20 mmol) in PhCF3 (4.0 mL) was added into the tube. The reaction mixture wasstirred at room temperature for 24 h under air. The resulting mixture was filtered through celite, and the filtrate was concentrated under reduced pressure. The residuewas purified by column chromatography on silica gel with a gradient eluent ofpetroleum ether and ethyl acetate to give 4a-O (3.6 mg, 10%).

Yield	Reaction Conditions	Operation in experiment
88%	With triethylamine; In dichloromethane; at 20℃;	<strong>[123-07-9]4-Ethylphenol</strong> (2.44 g, 20 mmol), acetic anhydride (2.25 g, 22 mmol) and triethylamine(2.23 g, 22 mmol) were dissolved in 30 mL of dichloromethane and stirred at room temperature overnight. Then, the mixture was washed by NaHCO3 (aq) (3 x 10 mL) and brine dried over MgSO4. After removal of the solvent in vacuo, the crude product was purified by flash chromatography (PE/EA, v/v=10/1) to yield the corresponding product p-Ethylphenylacetate (3d)[8], colorless oil, 88% yield, 1H NMR (400 MHz, CDCl3) delta 7.20(d, 2H, J = 8.8 Hz), 6.99 (d, 2H, J = 8.0 Hz), 2.64 (q, 2H, J = 7.6 Hz), 2.29 (s, 3H), 1.23 (t,3H, J = 7.6 Hz). 13C NMR (100 MHz, CDCl3) delta 170.0, 148.8, 142.0, 129.0, 121.5, 28.5,21.4, 15.8. IR (neat) 2967, 1767, 1509, 1370, 1217, 1195, 1018, 848 cm-1.
87%	With 1H-imidazole; at 20℃; for 2.5h;Green chemistry;	4-ethylphenol (1 mmol, 0.122 g) was added to a stirred solution of imidazole (0.08 mmol 0.005 g) and acetic anhydride (2.0 mmol, 0.188 mL) at ambient temperature, and the progress of the reaction was monitored by TLC. Upon completion of the reaction (2.5 h), the crude procuct mixture was purified by column chromatography on silica gel, using n-hexane/ethyl acetate (10:1) as the eluent, to give 4-ethylphenyl acetate as colorless liquid (0.143 g, 87% yield). 1H NMR (400 MHz, CDCl3): delta 1.31 (t, J=7.6 Hz 3H), 2.33 (s, 3H), 2.71 (q, J=7.6 Hz, 2H) 7.07 (d, J=8.4 Hz, 2H)7.27 (d, J=8.4 Hz, 2H). 13C (100 MHz, CDCl3): delta 15.6, 21.1, 28.3, 121.3, 128.8, 141.7, 148.7, 169.7.
	With sulfuric acid; at 20℃; for 0.166667h;	General procedure: To a mixture of phenol a1 (94.1 g, 1 mol) and acetic anhydride (102 g, 1 mol) was added three drops of concentrated H2SO4 at room temperature with stirring for 10 min. TLC monitoring indicated that reaction was finished and acetic acid phenyl ester b1 was generated. The mixture was poured into water (500 mL) with stirring, extracted with EtOAc (10 × 50 mL) and the layers were separated. The organic layer was dried over anhydrous Na2SO4 and the solvent was removed under reduced pressure. Acetic acid phenyl ester b1 (95.3 g, 70%) was obtained.

[ CAS No. 3245-23-6 ] {[proInfo.proName]}

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[ 3245-23-6 ] Synthesis Path-Upstream 1~1

[ 3245-23-6 ] Synthesis Path-Downstream 1~79

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Yield	Reaction Conditions	Operation in experiment
70%	With tetrabutyl-ammonium chloride; sodium hydroxide In dichloromethane; water at 0℃; for 0.0833333h;
	In dichloromethane for 0.5h; Ambient temperature;
	With sodium hydroxide; tetrabutyl-ammonium chloride In dichloromethane at 0℃; for 0.0833333h;

	With triethylamine In dichloromethane at 20℃; for 0.5h;	118.1 To a stirred solution of 4-ethylphenol (3.38 g, 27.67 mmol) in DCM (50 mL) in an ice bath was added TEA (7.2 mL, 55.34 mmol), followed by the dropwise addition of acetyl chloride (2.2 mL, 30.44 mmol). The mixture was stirred at room temperature for 30 min. The reaction mixture was quenched with water (40 mL) and extracted with DCM (3*50 mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure and purified by silica gel chromatography to obtain the title compound.
	With triethylamine In dichloromethane at 20℃; for 0.5h;

Yield	Reaction Conditions	Operation in experiment
95%	With aluminum (III) chloride In methanol; water; ethyl acetate at 20℃; for 4h; Inert atmosphere; Irradiation;	4 Example 1: Photocatalytic hydrogenation of styrene General procedure: Weigh 0.1 mmol of styrene, 0.1 mmol of AlCl3, and 10.0 mg of Pd/PCN photocatalyst into a 5 mL reaction flask, and add a mixed solution of ethyl acetate/water/methanol (2 mL/1.5 mL/1.5 mL) to react. System replacement for argon the reaction was carried out, and the reaction flask was placed under a light source of 420 nm for 4 hours. After the reaction was completed, the light source was removed, and the reaction mixture was extracted with 5.0 mL of CH2Cl2. Perform GC-MS analysis,The yield of the reaction is determined in conjunction with a standard curve of the target product.
	p-Aethylphenol, Acetylchlorid;
	p-Ethyl-phenol, Acetanhydrid, Py.;

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 8 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 83 percent / LiCl, Et₃N / Cl₂Pd(PPh₃)2 / acetonitrile; H₂O / within 30 min to 70 deg C and 1 h, 70 deg C 7: 14 percent / tetrahydrofuran / 0.42 h / -50 °C 8: 80 percent / H₂ / 10percent Pd/C / methanol / 22 h / Ambient temperature
	Multi-step reaction with 8 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 32 percent / Ph₃P, Et₄NCl, Et₃N / Pd(OAc)2, Ph₃P / H₂O; acetonitrile / 15 min, room t. and 40 min, 50 deg C 7: 14 percent / tetrahydrofuran / 0.42 h / -50 °C 8: 80 percent / H₂ / 10percent Pd/C / methanol / 22 h / Ambient temperature
	Multi-step reaction with 8 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 35 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / acetic acid / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 83 percent / LiCl, Et₃N / Cl₂Pd(PPh₃)2 / acetonitrile; H₂O / within 30 min to 70 deg C and 1 h, 70 deg C 7: 14 percent / tetrahydrofuran / 0.42 h / -50 °C 8: 80 percent / H₂ / 10percent Pd/C / methanol / 22 h / Ambient temperature

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min
	Multi-step reaction with 3 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / Et₃SiH, TFA / CH₂Cl₂ / 0 deg C and room t., 30 min

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 7 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 42 percent / Ph₃P, Et₄NCl, Et₃N / Pd(OAc)2, Ph₃P / H₂O; acetonitrile / 15 min, room t. and 40 min, 50 deg C 7: 10 percent / tetrahydrofuran / 0.42 h / -50 °C
	Multi-step reaction with 7 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 35 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / acetic acid / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 42 percent / Ph₃P, Et₄NCl, Et₃N / Pd(OAc)2, Ph₃P / H₂O; acetonitrile / 15 min, room t. and 40 min, 50 deg C 7: 10 percent / tetrahydrofuran / 0.42 h / -50 °C
	Multi-step reaction with 7 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / Et₃SiH, TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 42 percent / Ph₃P, Et₄NCl, Et₃N / Pd(OAc)2, Ph₃P / H₂O; acetonitrile / 15 min, room t. and 40 min, 50 deg C 7: 10 percent / tetrahydrofuran / 0.42 h / -50 °C

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 83 percent / LiCl, Et₃N / Cl₂Pd(PPh₃)2 / acetonitrile; H₂O / within 30 min to 70 deg C and 1 h, 70 deg C
	Multi-step reaction with 6 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 32 percent / Ph₃P, Et₄NCl, Et₃N / Pd(OAc)2, Ph₃P / H₂O; acetonitrile / 15 min, room t. and 40 min, 50 deg C
	Multi-step reaction with 6 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 35 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / acetic acid / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C 6: 83 percent / LiCl, Et₃N / Cl₂Pd(PPh₃)2 / acetonitrile; H₂O / within 30 min to 70 deg C and 1 h, 70 deg C

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature
	Multi-step reaction with 4 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 35 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / acetic acid / 2 h / Ambient temperature
	Multi-step reaction with 4 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / Et₃SiH, TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C
	Multi-step reaction with 5 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 35 percent / TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / acetic acid / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C
	Multi-step reaction with 5 steps 1: AlCl₃ / 0.25 h / 140 °C 2: 96 percent / tetrahydrofuran / 0 deg C, 5 min and 65 deg C, 20 min 3: 47 percent / Et₃SiH, TFA / CH₂Cl₂ / 0 deg C and room t., 30 min 4: 70 percent / 65percent HNO₃ / hexane / 2 h / Ambient temperature 5: 88 percent / 2,4,6-collidine / CH₂Cl₂ / 0.42 h / -50 °C

Yield	Reaction Conditions	Operation in experiment
	With C₂₄H₂₃Cl₃P₂Pt; hydrogen; tin(ll) chloride In toluene at 50℃; for 96h; Autoclave; Inert atmosphere; chemoselective reaction;	Hydroformylation experiments In a typical experiment a solution of 0.02 mmol of 7 and 0.04 mmol of tin(II)chloride in 10 mL toluene containing 1 mmol of styrene was transferred under argon into a 100 mL stainless steel autoclave. The reaction vessel was pressurized to 80 bar total pressure (CO/H2 = 1/1) and placed in an oil bath of appropriate temperature and the mixture was stirred with a magnetic stirrer for the appropriate reaction time. The pressure was monitored throughout the reaction. After cooling and venting of the autoclave, the pale yellow solution was removed and immediately analysed by GC.
	With cis-[bis(1-propyl-3-methyl-3-phospholeno)-dichloro-platinum(II)]; hydrogen; tin(ll) chloride In toluene at 100℃; for 48h; Inert atmosphere; regioselective reaction;	Hydroformylation experiments General procedure: A solution of 0.01mmol of PtCl2(ligand)2 and 3.8mg (0.02mmol) of tin(II) chloride in 10 mL of toluene containing 0.115 mL (1mmol) of styrene was transferred under argon into a 100 mL stainless steel autoclave. The reaction vessel was pressurized to 80 bar total pressure (CO/H2 = 1/1) and placed in an oil bath of appropriate temperature and the mixture was stirred with a magnetic stirrer. Samples were taken from the mixture and the pressure was monitored throughout the reaction. After cooling and venting of the autoclave, the pale yellow solution was removed and immediately analyzed by GC and chiral GC (on a capillary Cyclodex-column, (S)-2- phenylpropanal was eluted before the (R) enantiomer).
	With C₂₂H₂₂Cl₂P₂Pt; hydrogen; tin(ll) chloride In toluene at 100℃; for 24h; Autoclave; regioselective reaction;

Yield	Reaction Conditions	Operation in experiment
	Hydrolyse - Kinetik, Geschw.konst.;
	der alkal. Hydrolyse;

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / 6 h / 120 °C 1.2: Cooling 2.1: trichlorophosphate / 0 - 20 °C
	Multi-step reaction with 2 steps 1: aluminum (III) chloride / 120 °C 2: trichlorophosphate / 20 °C

Yield	Reaction Conditions	Operation in experiment
75%	With tetrakis(tetrabutylammonium)decatungstate(VI); sodium hydrogencarbonate; N-fluorobis(benzenesulfon)imide In acetonitrile UV-irradiation; Flow reactor;
65%	With Selectfluor; 9-(2-mesityl)-10-methylacridinium perchlorate In water; acetonitrile at 20℃; for 1h; Sealed tube; Inert atmosphere; Irradiation;
58%	With (S,S)-chloro[2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-[4,6-bis(1,1-dimethylethyl)phenolato]]^(2-)-N,N',O,O'-manganese; iodosylbenzene; triethylamine tris(hydrogen fluoride) In acetonitrile at 50℃; Schlenk technique; Inert atmosphere;

49%	With 9-fluorenone; Selectfluor In acetonitrile at 27℃; for 48h; Glovebox; Irradiation;
	With (S,S)-chloro[2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-[4,6-bis(1,1-dimethylethyl)phenolato]]^(2-)-N,N',O,O'-manganese; iodosylbenzene; triethylamine tris(hydrogen fluoride) In acetonitrile at 50℃; Schlenk technique; Inert atmosphere;
	With dihydroxy-methyl-borane; bathophenanthroline; copper (I) acetate; lithium carbonate; N-fluorobis(benzenesulfon)imide In chlorobenzene at 55℃; for 16h; Glovebox; Inert atmosphere;
	With 9-fluorenone; Selectfluor In acetonitrile at 20℃; for 24h; Glovebox; Inert atmosphere; Irradiation; Schlenk technique;

Yield	Reaction Conditions	Operation in experiment
21 % ee	With PtCl₂{(-)-(2S,4S)-2,4-bis(diphenylphosphino)pentane}; hydrogen; tin(ll) chloride In toluene at 120℃; for 1h; Inert atmosphere; Autoclave; enantioselective reaction;
32 % ee	With PtCl₂{(-)-(2S,4S)-2,4-bis(diphenylphosphino)pentane}; hydrogen; tin(ll) chloride In toluene at 60℃; for 8h; Inert atmosphere; Autoclave; enantioselective reaction;

Yield	Reaction Conditions	Operation in experiment
56%	With trimethylsilylazide; copper diacetate; (S,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole; N-fluorobis(benzenesulfon)imide In nitromethane at 30℃; for 24h; Inert atmosphere; Sealed tube;
55%	With sodium azide; (5,10,15,20-tetramesitylporphyrinato)manganese(III) chloride; iodosylbenzene In acetic acid methyl ester; water at 23℃;
40%	With sodium azide; lithium perchlorate In acetic acid; acetonitrile at 25℃; for 10h; Inert atmosphere; Electrochemical reaction;

Yield	Reaction Conditions	Operation in experiment
99%	With palladium 10% on activated carbon; hydrogen at 20℃; for 18h; Sealed tube;
99%	With 1% Pd on activated carbon; hydrogen In water at 20℃; for 2h; Green chemistry; chemoselective reaction;
	With hydrogen In toluene at 40℃; Schlenk technique; Glovebox;

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
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.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

[ CAS No. 3245-23-6 ] {[proInfo.proName]}

Quality Control of [ 3245-23-6 ]

Related Doc. of [ 3245-23-6 ]

Product Details of [ 3245-23-6 ]

Safety of [ 3245-23-6 ]

Application In Synthesis of [ 3245-23-6 ]

[ 3245-23-6 ] Synthesis Path-Upstream 1~1

[ 3245-23-6 ] Synthesis Path-Downstream 1~79

Related Functional Groups of [ 3245-23-6 ]

Aryls

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 3245-23-6 ]