[ CAS No. 122135-83-5 ] {[proInfo.proName]}

Name: 122135-83-5|Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate|95%
Brand: Ambeed
SKU: A351627
Rating: 93 (25 reviews)

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Quality Control of [ 122135-83-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 122135-83-5 ]

Product Details of [ 122135-83-5 ]

CAS No. :	122135-83-5	MDL No. :	MFCD00798197
Formula :	C₁₀H₁₃F₃O₅S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VWIUHGUFSGOXDX-UHFFFAOYSA-N
M.W :	302.27	Pubchem ID :	394599
Synonyms :

Calculated chemistry of [ 122135-83-5 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.7
Num. rotatable bonds :	6
Num. H-bond acceptors :	8.0
Num. H-bond donors :	0.0
Molar Refractivity :	59.12
TPSA :	78.05 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.08
Log Po/w (XLOGP3) :	2.69
Log Po/w (WLOGP) :	4.59
Log Po/w (MLOGP) :	1.39
Log Po/w (SILICOS-IT) :	1.69
Consensus Log Po/w :	2.69

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-3.01
Solubility :	0.294 mg/ml ; 0.000971 mol/l
Class :	Soluble
Log S (Ali) :	-3.98
Solubility :	0.0315 mg/ml ; 0.000104 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.54
Solubility :	0.874 mg/ml ; 0.00289 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.22

Safety of [ 122135-83-5 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501	UN#:	1760
Hazard Statements:	H302-H312-H332-H335-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 122135-83-5 ]

* 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 [ 122135-83-5 ]

[ 122135-83-5 ] Synthesis Path-Downstream 1~88

1
[ 1191-99-7 ]
[ 122135-83-5 ]
(R)-2-<2-(Ethoxycarbonyl)-1-cyclohexenyl>-2,3-dihydrofuran [ No CAS ]

Reference： [1]Tetrahedron Letters,1993,vol. 34,p. 2505 - 2508

2
[ 114067-35-5 ]
[ 122135-83-5 ]
[ 135570-23-9 ]

Reference： [1]Journal of the American Chemical Society,1991,vol. 113,p. 7075 - 7076

3
[ 7486-35-3 ]
[ 122135-83-5 ]
[ 138616-32-7 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 6675 - 6678
[2]Tetrahedron Letters,1991,vol. 32,p. 6675 - 6678

4
[ 3757-88-8 ]
[ 122135-83-5 ]
[ 122135-88-0 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 6675 - 6678

5
[ 24850-33-7 ]
[ 122135-83-5 ]
[ 138616-33-8 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 6675 - 6678

6
[ 122135-83-5 ]
[ 76460-88-3 ]
(R)-2-(3-Ethoxycarbonyl-cyclohex-1-enyl)-2,3-dihydro-pyrrole-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron Letters,1993,vol. 34,p. 2505 - 2508

7
[ 122135-83-5 ]
[ 144242-01-3 ]

Yield	Reaction Conditions	Operation in experiment
	With diisobutylaluminium hydride; In n-heptane; dichloromethane; at -78 - 20℃; for 17h;Inert atmosphere;	DIBAL-H (1 M in heptane, 34.7 mL, 34.7 mmol) was added dropwise to a DCM (50 mL) solution of ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1 -enecarboxylate (CAS 122135-83-5, 5 g, 16.54 mmol) at -78 C. The mixture was stirred for 1 h at -78 C, and then stirred at rt for 16 h. The reaction was quenched with 1 : 1 water/saturated Rochelle's salt solution. The mixture was then stirred at rt for 1 h. The mixture was extracted with DCM. The organic extracts were dried over sodium sulfate, filtered, and then concentrated. The resulting residue was purified by silica gel flash column chromatography (0-50% EtOAc in heptane) to afford the title compound. MS (ESI+) m/z 243.0 (M-OH)+.

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 4804 - 4807
[2]Journal of Organic Chemistry,1992,vol. 57,p. 6972 - 6975
[3]Angewandte Chemie - International Edition,2013,vol. 52,p. 8676 - 8680
Angew. Chem.,2013,vol. 125,p. 8838 - 8842,5
[4]Patent: WO2016/1878,2016,A1 .Location in patent: Page/Page column 51

8
[ 37595-74-7 ]
[ 1655-07-8 ]
[ 122135-83-5 ]

Yield	Reaction Conditions	Operation in experiment
59%		Step 1. Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-l-enecarboxylate [0083] Sodium hydride (60 wt. % in oil, 228 mg, 5.70 mmol) was added to a 0 C solution of ethyl 2-oxocyclohexanecarboxylate (888 mg, 4.96 mmol) in THF (25 mL). After 40 min at 0 C, N-phenyl-bis(trifluoromethanesulfonimide) (2.14 g, 5.93 mmol) was added and the solution was allowed to warm to room temperature and stir overnight. The reaction mixture was quenched with saturated aqueous NaHC03 and extracted with CH2C12 (3x). The combined extracts were dried (MgS04), filtered and concentrated. The resulting crude residue was purified on a Teledyne-Isco Combiflash machine (120 g gold column, hexanes- 25% EtOAc/hexanes, gradient), to afford 879 mg (59%) of ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-l- enecarboxylate.

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279
[2]Tetrahedron Letters,1999,vol. 40,p. 8133 - 8136
[3]Angewandte Chemie - International Edition,2015,vol. 54,p. 10545 - 10549
Angew. Chem.,2015,vol. 127,p. 10691 - 10695,5
[4]Heterocycles,1994,vol. 37,p. 167 - 170
[5]Patent: WO2015/188152,2015,A1 .Location in patent: Paragraph 0082-0083
[6]Tetrahedron Letters,1991,vol. 32,p. 6675 - 6678
[7]Tetrahedron Letters,1996,vol. 37,p. 1173 - 1176
[8]Bioorganic and Medicinal Chemistry Letters,1996,vol. 6,p. 295 - 300

9
[ 122135-83-5 ]
[ 98-80-6 ]
[ 173277-75-3 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 6180 - 6183
Angew. Chem.,2014,vol. 126,p. 6294 - 6297
[2]Bioorganic and Medicinal Chemistry Letters,1996,vol. 6,p. 295 - 300

10
[ 456-64-4 ]
[ 1655-07-8 ]
[ 122135-83-5 ]

Reference： [1]Canadian Journal of Chemistry,1997,vol. 75,p. 694 - 701
[2]Journal of Organic Chemistry,2004,vol. 69,p. 3943 - 3949

11
[ 122135-83-5 ]
[ 119999-22-3 ]
[ 179538-88-6 ]

Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 8067 - 8070

12
[ 14660-39-0 ]
[ 122135-83-5 ]
[ 251636-98-3 ]

Reference： [1]Journal of Organic Chemistry,1999,vol. 64,p. 8263 - 8266

13
[ 122135-83-5 ]
[ 302777-91-9 ]
2-[1-hydroxy-2-(2,2,6-trimethyl-4-oxo-4H-[1,3]dioxin-5-yl)-ethyl]-cyclohex-1-enecarboxylic acid ethyl ester [ No CAS ]

Reference： [1]Chemical Communications,2000,p. 1463 - 1464

14
[ 122135-83-5 ]
[ 301823-94-9 ]
[ 301823-93-8 ]

Reference： [1]Chemical Communications,2000,p. 1465 - 1466

15
[ 201230-82-2 ]
[ 122135-83-5 ]
lithium triethyl(1-methoxyindol-2-yl)borate [ No CAS ]
ethyl 2-[(1-methoxyindol-2-yl)carbonyl]cyclohex-1-ene-1-carboxylate [ No CAS ]

Reference： [1]Heterocycles,2000,vol. 53,p. 2201 - 2220

16
[ 201230-82-2 ]
[ 122135-83-5 ]
lithium triethyl(1-tert-butoxycarbonylindol-2-yl)borate [ No CAS ]
[ 309718-53-4 ]

Reference： [1]Heterocycles,2000,vol. 53,p. 2201 - 2220

17
[ 122135-83-5 ]
[ 302777-91-9 ]
[ 302777-99-7 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 233 - 242

18
[ 122135-83-5 ]
[ 438187-43-0 ]
[ 438187-44-1 ]

Reference： [1]Organic Letters,2002,vol. 4,p. 1819 - 1822

19
[ 122135-83-5 ]
[ 73183-34-3 ]
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohexene-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate;bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; In 1,4-dioxane; at 100℃;	Example 2 (Intermediate); Ethyl 2-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)cvclohex-l-ene-l-carboxylate(2); The compound of Example (1) (6.50 g, 21.5 mmol), 4,4,4',4',5,5,5',5'-octamethyl-2,2'- bi-l,3,2-dioxaborolane (6.01 g, 23.6 mmol), dichloro[bis(triphenylphosphoranyl)]palladium (1.51 g, 2.1 mmol) , triphenylphosphine (1.13 g, 4.3 mmol), and K2CO3 (5.94 g, 43.0 mmol) were suspended in dioxane, and stirred overnight at 100 C. After cooling to room temperature, the reaction was concentrated, ether and water were added and the mixture was extracted with ether. The combined ether extracts were washed with brine, dried over MgSO4, filtered and concentrated. The crude product was purified via silica gel chromatography to provide compound (2) (1.8 g, 16 % yield - two steps) as a colorless oil. LC-MS (M+H = 281, obsd. = 281). 1H NMR (400 MHz, d6- DMSO): δ 1.32 (t, J = 3.6 Hz, 3H), 1.33 (s, 12 H), 1.55 (m, 4H), 2.20 (m, 4H), 4.18 (q, J = 3.6 Hz, 2H).

Reference： [1]Journal of Organometallic Chemistry,2003,vol. 687,p. 284 - 290
[2]Journal of Organometallic Chemistry,2003,vol. 687,p. 284 - 290
[3]Synlett,2002,p. 1880 - 1882
[4]Journal of Organometallic Chemistry,2003,vol. 687,p. 284 - 290
[5]Patent: WO2010/77530,2010,A1 .Location in patent: Page/Page column 42
[6]Chemical Communications,2020,vol. 56,p. 12817 - 12820

20
[ 122135-83-5 ]
[ 301823-94-9 ]
[ 301823-93-8 ]
(R)-3-[(1R,2S,4R,5S)-5-(tert-Butyl-diphenyl-silanyloxy)-3,3-dimethyl-2-vinyl-7-oxa-bicyclo[2.2.1]hept-1-yl]-4,5,6,7-tetrahydro-3H-isobenzofuran-1-one [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2002,p. 1701 - 1713

21
[ 122135-83-5 ]
[ 448212-00-8 ]
ethyl 2-[(E)-3-ethoxycarbonyl-2-propen-2-yl]-1-cyclohexene-1-carboxylate [ No CAS ]

Reference： [1]Synlett,2002,p. 1880 - 1882

22
[ 122135-83-5 ]
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclopenten-1-one [ No CAS ]
ethyl 2-(2-methyl-3-oxo-1-cyclopentenyl)-1-cyclohexene-1-carboxylate [ No CAS ]

Reference： [1]Synlett,2002,p. 1880 - 1882

23
[ 122135-83-5 ]
[ 470690-17-6 ]
[ 470690-24-5 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2002,p. 1693 - 1700

24
[ 7541-17-5 ]
[ 122135-83-5 ]
(2-carboethoxy-1-cyclohexen-1-ylmethyl)methylcarbamic acid 1,1-dimethylethyl ester [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 969 - 973

25
[ 75844-69-8 ]
[ 122135-83-5 ]
1,1-dimethylethyl 2-(2-carboethoxy-1-cyclohexen-1-yl)-1-piperidinecarboxylate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 969 - 973

26
[ 123387-52-0 ]
[ 122135-83-5 ]
1,1-dimethylethyl 2-(2-carboethoxy-1-cyclohexen-1-yl)hexahydro-azepine-1-carboxylate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 969 - 973

28
[ 358-23-6 ]
[ 1655-07-8 ]
[ 122135-83-5 ]

Yield	Reaction Conditions	Operation in experiment
90%		In a 500mL three-necked flask, add 60% sodium hydrogen (3.5g, 1.5eq.),Add 200 mL of dichloromethane and replace with nitrogen three times.Under the condition of 0-5C, add ethyl 2-cyclohexanone carboxylate (10.0 g, 1.0eq.) dropwise, keep the temperature and stir for 10 min,Subsequently, the temperature continued to drop to -70C, and Tf2O (24.3g, 1.5eq.) was added dropwise to the reaction solution (to control the dropping rate),Incubate and stir for 15 minutes, then naturally heat to 25C and stir overnight;Afterwards, a saturated NaHCO3 solution was added to adjust the pH to 8-9, the organic phase was dried over anhydrous sodium sulfate, and concentrated to obtain Intermediate 1a (15.6g, 90.0% yield).
82%	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 - 20℃; for 18h;	Preparation 41; 2-Hydroxy-cyclohex-l-enecarboxylic acid ethyl ester; Et EPO <DP n="34"/>Combine 2-oxo-cyclohexanecarboxylic acid ethyl ester (10.0 g, 55.0 mmol), Hunig's base (23.0 mL, 132.0 mmol), dichloromethane (100.0 mL), and trifluoromethane sulphonic anhydride (11.1 mL, 66.0 mmol) at ""780C and then stir at room temperarture for 18 hours under a nitrogen atmosphere. Add water, then wash with sat sodium bicarbonate solution, citric acid, then brine, and dry over sodium sulfate. Concentrate under vacuum and flash chromatograph using 10% to 40% DCM/hexanes eluent to yield the titled compound (13.6 g, 82%). TLC Rf=0.25in 40% DCM/hexanes. 1H NMR (CDCl3): 4.26 (q, 2H, 7=7.0 Hz), 2.5 (m, 2H), 2.4 (m, 2H), 1.8 (m, 2H), 1.7 (m, 2H), 1.3 (t, 3H, 7=7 Hz).
76%	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 - 20℃; for 16h;	Ethyl 2-oxocyclohexanecarboxyla.te (170 mg, 1 .00 mmol) and DIEA (417 jjJL, 2,40 mmol) were dissolved in DCM (2 mL) and cooled to -78 C. To the stirring solution was added dropwise trifluoromethanesuiionic anhydride (202 μΤ, 1.20 mmol), then the resulting solution was allowed to warm to room temperature and stirred for 16 h. The solution was then diluted with DCM and washed with I M aqueous HCl and the solvent removed under reduced pressure. The crude residue was purified by flash column ehroniatograpliy using a gradient of hexanes : EtOAc (9 : 1 to 1 : 1) to give 29a (231 mg, 76%) as a clear oil. 1H~NMR (400 MHz, CDC13) δ 4.23 (q, J = 7.1 Hz, 2H), 2.51-2.40 (m, 2H), 2.40-2.31 (m, 2H), 1.81-1.70 (m, 2H), 1.70-1.57 (m, 2H), L28 (t, J= 7.1 Hz, 3H).

		Example 1 (Intermediate); 2-Trifluoromethanesulfonyloxy-cyclohex-l-enecarboxylic acid ethyl (1); To a suspension of sodium hydride (1.35 g, 33.9 mmol) in diethyl ether (150 mL) was added dropwise a solution of ethyl 2-oxocyclohexanecarboxylate (5.00 g, 29.4 mmol) diethyl ether (30 mL). After stirring for 2 h at room temperature, trifluoromethanesulfonic anhydride (5.7 mL, 33.8 mmol) was added dropwise, and the reaction mixture was stirred for 16 h at room temperature. The reaction was quenched with saturated ammonium chloride (200 mL), and the product was extracted with ether (3x 100 mL). The combined ether extracts were dried over MgSO4, filtered, and concentrated to provide compound (1), which was used in the next step without further purification.
		Example 8A ethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate To a cooled (0 C.) stirring suspension of NaH (0.983 g 60% in mineral oil, washed with hexane three times) in ether (50 ml) was added ethyl 2-oxocyclohexanecarboxylate (3.2 g, 20.5 mmol). The mixture was stirred at 0 C. for 30 minutes before the addition of trifluoromethanesulfonic anhydride (4.2 mL, 25 mmol). The mixture was then stirred at room temperature overnight. The mixture was diluted with ether (200 mL) and washed with 5% HCl, water and brine. After drying over Na2SO4, evaporation of solvent gave crude product which was used without further purification.
		General procedure: The NaH (60% oil dispersion, 23.4 mmol,0.94 g, 1.3 eq) was weighted into a 250-mL round-bottom flask, filled with 80 mL of CH2Cl2. Then the flask was placed into an ice bath and the β-ketoester (18 mmol, 5.0 g, 1.0 eq) was added dropwise over 10 min. This reaction mixture was stirred for 20 min at 0 C to complete deprotonation and then cooled down to -78 C. Trifluoromethanesulfonic anhydride (24.3 mmol, 6.90g, 1.35eq) was added dropwise and then warmed up slowly overnight for 12 h. It was quenched with brine, filtrated through Celite, extracted with CH2Cl2, concentrated in vacuo, and purified over silica gel to obtainedthe products.
		To compound 1 (1 g, 5.88 mmol) in DCM (20 mL) was added NaH (0.29 g, 12 mmol) at 0 degrees. After replacing the nitrogen, stirring for 30 minutes, add trifluoromethanesulfonic anhydride Tf2O (2.0g, 7mmol) to the above reaction solution and slowly rise to room temperature and stir for 1-24 hours. After the reaction is complete, add 20ml of water to quench the reaction solution. Extract twice with methyl chloride (20 mL) and dry the organic phase. It was spin-dried to obtain 2.0 g of crude compound 2. The reaction is almost quantitative and can be used directly in the next step.

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 4804 - 4807
[2]Journal of Organic Chemistry,2003,vol. 68,p. 969 - 973
[3]Chemistry - A European Journal,2013,vol. 19,p. 3504 - 3511
[4]Organic Letters,2018,vol. 20,p. 2993 - 2996
[5]Patent: CN113135848,2021,A .Location in patent: Paragraph 0021-0024
[6]Journal of Organic Chemistry,2016,vol. 81,p. 1391 - 1400
[7]Patent: WO2006/88716,2006,A1 .Location in patent: Page/Page column 32-33
[8]Patent: WO2013/96771,2013,A1 .Location in patent: Page/Page column 120; 121
[9]Angewandte Chemie - International Edition,2019,vol. 58,p. 18476 - 18481
    Angew. Chem.,2019,vol. 131,p. 18647 - 18652,6
[10]Chemistry - A European Journal,2015,vol. 21,p. 6074 - 6078
[11]Patent: WO2010/77530,2010,A1 .Location in patent: Page/Page column 41-42
[12]Patent: US2010/184766,2010,A1 .Location in patent: Page/Page column 45
[13]Angewandte Chemie - International Edition,2013,vol. 52,p. 11102 - 11105
    Angewandte Chemie,2013,vol. 125,p. 11308 - 11311,4
[14]Angewandte Chemie - International Edition,2014,vol. 53,p. 6180 - 6183
    Angew. Chem.,2014,vol. 126,p. 6294 - 6297
[15]Journal of the American Chemical Society,2018,vol. 140,p. 7587 - 7597
[16]Organic Letters,2019,vol. 21,p. 1555 - 1558
[17]Tetrahedron Letters,2019,vol. 60,p. 1148 - 1152
[18]Advanced Synthesis and Catalysis,2020,vol. 362,p. 326 - 330
[19]Chemical Communications,2020,vol. 56,p. 12817 - 12820
[20]Angewandte Chemie - International Edition,2020,vol. 59,p. 20201 - 20207
    Angew. Chem.,2020,vol. 132,p. 20376 - 20382,7
[21]Patent: CN113636960,2021,A .Location in patent: Paragraph 0066-0069; 0074-0081; 0090-0092

29
[ 134050-29-6 ]
[ 122135-83-5 ]
[ 73183-34-3 ]
ethyl 2-(2-methyl-3-oxo-1-cyclopentenyl)-1-cyclohexene-1-carboxylate [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,2003,vol. 687,p. 284 - 290

30
[ 122135-83-5 ]
ethyl (E)-3-(trifluoromethylsulfonyloxy)but-2-enoate [ No CAS ]
[ 73183-34-3 ]
ethyl 2-[(E)-3-ethoxycarbonyl-2-propen-2-yl]-1-cyclohexene-1-carboxylate [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,2003,vol. 687,p. 284 - 290

31
[ 122135-83-5 ]
[ 536-74-3 ]
[ 122135-88-0 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 5936 - 5942

32
[ 107099-99-0 ]
[ 122135-83-5 ]
[ 654075-23-7 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

33
[ 122135-83-5 ]
[ 179897-94-0 ]
[ 654075-20-4 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

34
[ 122135-83-5 ]
[ 174669-73-9 ]
[ 654075-30-6 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

35
[ 122135-83-5 ]
C₇H₅BFNO₂ [ No CAS ]
[ 654075-31-7 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

36
[ 122135-83-5 ]
[ 654075-24-8 ]
[ 654075-28-2 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

37
[ 122135-83-5 ]
[ 654075-25-9 ]
[ 654075-26-0 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

38
[ 122135-83-5 ]
n-tetradecylmagnesium chloride [ No CAS ]
2-tetradecyl-cyclohexen-1-ylcarboxylic acid ethyl ester [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 3943 - 3949

39
[ 122135-83-5 ]
PhMgX [ No CAS ]
[ 173277-75-3 ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 3943 - 3949

40
[ 14604-44-5 ]
[ 122135-83-5 ]
[ 736184-79-5 ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 4500 - 4508

41
[ 866826-44-0 ]
[ 122135-83-5 ]
2-(3-ethyl-4-propionylpyrrol-1-yl)cyclohex-1-enecarboxylic acid ethyl ester [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 8638 - 8641

42
[ 122135-83-5 ]
[ 115378-31-9 ]
[ 880152-29-4 ]

Reference： [1]Organic Letters,2006,vol. 8,p. 777 - 780

43
[ 122135-83-5 ]
[ 109769-41-7 ]
[ 189271-61-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 5099 - 5109

44
[ 903522-11-2 ]
[ 122135-83-5 ]
N-[4-(2-ethyloxycarbonyl-cyclohex-1-enyl)-phenyl]-2,6-difluoro-benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	bis-triphenylphosphine-palladium(II) chloride;	Following the general Suzuki coupling procedure Compound 99 was prepared in 61% yield. 1H NMR (300 MHz, CDCI3) δ 8.11 (s, 1 H), 7.55-7.34 (m, 3 H), 7.12-7.01 (m, 2 H), 6.998-6.92 (m, 2 H), 3.91 (q, J = 7.2 Hz, 2 H), 2.36-2.30 (m, 4 H), 1.80- 1.64 (m, 4 H), 0.96 (t, J = 7.2 Hz, 3 H); ESMS cacld (C22H2IF2NO3): 385.2; found: 386.1 (M+H).

Reference： [1]Patent: WO2007/87443,2007,A2 .Location in patent: Page/Page column 117

45
[ 122135-83-5 ]
[ 148493-34-9 ]
ethyl 2-(2,6-dichloro-3-pyridinyl)-1-cyclohexenecarboxylate [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 4229 - 4233

46
[ 591-87-7 ]
[ 122135-83-5 ]
[ 138616-33-8 ]

Reference： [1]Chemistry - A European Journal,2007,vol. 13,p. 5197 - 5206

47
[ 75-52-5 ]
[ 122135-83-5 ]
[ 824-79-3 ]
C₁₇H₂₂O₄S [ No CAS ]
C₁₇H₂₂O₄S [ No CAS ]
C₁₇H₂₂O₄S [ No CAS ]

Reference： [1]Organic Letters,1999,vol. 1,p. 1783 - 1785

48
[ 75-52-5 ]
[ 122135-83-5 ]
C₁₀H₁₅O₄N [ No CAS ]
C₁₀H₁₅O₄N [ No CAS ]
C₁₀H₁₅O₄N [ No CAS ]

Reference： [1]Organic Letters,1999,vol. 1,p. 1783 - 1785

49
[ 122135-83-5 ]
2-epi-(-)-cylindricine C [ No CAS ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

50
[ 122135-83-5 ]
[ 880152-30-7 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

51
[ 122135-83-5 ]
[ 880152-42-1 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

52
[ 122135-83-5 ]
[ 880152-41-0 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

53
[ 122135-83-5 ]
[ 880152-45-4 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

54
[ 122135-83-5 ]
[ 880152-40-9 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

55
[ 122135-83-5 ]
[ 240119-75-9 ]

Reference： [1]Heterocycles,2006,vol. 70,p. 423 - 459
[2]Organic Letters,2006,vol. 8,p. 777 - 780

56
[ 122135-83-5 ]
[ 83688-42-0 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

57
[ 122135-83-5 ]
5,6,7,8-tetrahydro-10-oxa-1-aza-phenanthren-9-one [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

58
[ 122135-83-5 ]
2-fluoro-7,8,9,10-tetrahydro-benzo[c]chromen-6-one [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

59
[ 122135-83-5 ]
[ 654075-32-8 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

60
[ 122135-83-5 ]
4-((E)-2-Chloro-vinyl)-5,6,7,8-tetrahydro-10-oxa-1-aza-phenanthren-9-one [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

61
[ 122135-83-5 ]
[ 654075-29-3 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

62
[ 122135-83-5 ]
[ 654075-33-9 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

63
[ 122135-83-5 ]
2-ethynyl-4-methoxy-5,6,7,8-tetrahydro-10-oxa-1,3-diazaphenanthren-9-one [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

64
[ 122135-83-5 ]
N-(4-chloro-2-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)-2,2-dimethyl-propionamide [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 277 - 279

65
[ 122135-83-5 ]
(3E)-3-[iodo(phenyl)methylidene]-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 5936 - 5942

66
[ 122135-83-5 ]
(3E)-3-[phenyl(phenylselenyl)methylidene]-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 5936 - 5942

67
[ 122135-83-5 ]
[ 109123-22-0 ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 4804 - 4807
[2]Angewandte Chemie - International Edition,2013,vol. 52,p. 8676 - 8680
Angew. Chem.,2013,vol. 125,p. 8838 - 8842,5

68
tetrakistriphenyl phosphinepalladium⁽⁰⁾ [ No CAS ]
[ 122135-83-5 ]
[ 27452-17-1 ]
2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-cyclohexene-1-carboxylic acid, ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tert.-butyl lithium;Zinc chloride; In tetrahydrofuran; diethyl ether; pentane;	EXAMPLE 1 Z,E and E,E-3-Methyl-5-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-cyclohexen-1-yl]-2,4-pentadienoic Acid Ethyl Ester To a stirred solution of 2.0 g of 2-bromo-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl)naphthalene in 20 ml of anhydrous tetrahydrofuran at -78 C. is added 9 ml of 1.7M tert-butyllithium in pentane, followed by the addition of 15 ml of zinc chloride, 0.5M in tetrahydrofuran. The mixture is allowed to warm to room temperature, 0.39 g of tetrakistriphenyl phosphinepalladium(0) and 1.0 g of ethyl 2-trifluoromethanesulfonyloxycyclohexen-1-ylcarboxylate in 5 ml of tetrahydrofuran is added and the resulting solution is stirred for 2 hours at the reflux temperature of the solvent. The reaction is cooled to room temperature, 50 ml of diethyl ether is added and the layers are separated. The organic layer is washed with water, aqueous sodium bicarbonate, saturated sodium chloride, and dried over sodium sulfate. Evaporation of the solution, followed by chromatography (silica gel: hexane/diethyl ether 4:1) gives 1.5 g of 2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-cyclohexene-1-carboxylic acid, ethyl ester as a colorless solid.

Reference： [1]Patent: US5968908,1999,A

69
[ 63780-51-8 ]
[ 122135-83-5 ]
[ 1042148-87-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 3163 - 3167

70
[ 145100-51-2 ]
[ 1655-07-8 ]
[ 122135-83-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 3163 - 3167

71
indium(III) benzenethiolate [ No CAS ]
[ 122135-83-5 ]
[ 1052737-77-5 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 7413 - 7416

72
indium tris(isopropylthiolate) [ No CAS ]
[ 122135-83-5 ]
[ 1052737-78-6 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 7413 - 7416

73
[ 1655-07-8 ]
[ 122135-83-5 ]

Yield	Reaction Conditions	Operation in experiment
	With trifluoromethylsulfonic anhydride; N-ethyl-N,N-diisopropylamine; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;	Step 1: ethyl 2-[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylate To a solution of ethyl cyclohexanone-2-carboxylate (5.02 g, 29.5 mmol) in DCM (100 mL) cooled to -78 C. was added DIPEA (25.4 mL, 146 mmol) and then triflic anhydride (5.98 mL, 35.4 mmol) dropwise. The mixture was then warmed to r.t. and stirred overnight. The reaction was then quenched with aqueous citric acid and extracted with additional water. The organic layer was dried over Na2SO4 and the solvent was removed in vacuo. The crude product was purified on silica (100% DCM) to give the title product as an oil.

Reference： [1]Patent: US2010/183551,2010,A1

74
[ 491862-35-2 ]
[ 122135-83-5 ]
[ 1154051-44-1 ]

Reference： [1]Chemical Communications,2009,p. 1873 - 1875

75
[ 18668-68-3 ]
[ 122135-83-5 ]
[ 1154051-42-9 ]

Reference： [1]Chemical Communications,2009,p. 1873 - 1875

76
[ 755027-18-0 ]
[ 122135-83-5 ]
[ 73183-34-3 ]
[ 1103535-36-9 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; triphenylphosphine;PdCl2(PPh3)2; PdCl2[dppf]; In 1,4-dioxane; ethyl acetate;	Step 2: ethyl 2-(4-bromo-3-methoxyphenyl)cyclohex-1-ene-1-carboxylate To a solution of the product from Step 1, ethyl 2-[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylate (6.65 g, 22.0 mmol) in dioxane (125 mL) was added potassium carbonate (4.56 g, 33.0 mmol), PPh3 (0.346 g, 1.32 mmol), bis(pinacolato)diboron (6.15 g, 24.20 mmol), and PdCl2(PPh3)2 (0.463 g, 0.66 mmol). The mixture was then heated to 80 C. overnight. This solution was then cooled to r.t. and added to a mixture of <strong>[755027-18-0]1-bromo-4-iodo-2-methoxybenzene</strong> (6.86 g, 21.92 mmol), PdCl2(dppf) (0.481 g, 0.657 mmol), potassium carbonate (9.09 g, 65.7 mmol). This mixture was then heated to 80 C. overnight. The mixture was then cooled to r.t., diluted with EtOAc (300 mL) and washed with brine and aqueous KHSO4. The organic layer was then dried over Na2SO4 and the solvent was removed in vacuo. The crude material was then purified on silica (100% DCM) to give impure product which was repurified on silica (gradient elution, 5-20% EtOAc/hexanes) to give the title compound.

Reference： [1]Patent: US2010/183551,2010,A1

77
[ 1679-18-1 ]
[ 122135-83-5 ]
[ 1228784-07-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; hexane; toluene;Reflux;	Example 8B ethyl 2-(4-chlorophenyl)cyclohex-1-enecarboxylate To a solution of EXAMPLE 8A (2.88 g, 10 mmol), 4-chlorophenylboronic acid (1.88 g, 12 mmol) and tetrakis(triphenylphosphine)palladium(0) (0.578 g, 0.5 mmol) in toluene (40 ml) and ethanol (10 ml) was added 2N Na2CO3 (10 mL). The mixture was stirred at reflux overnight. The mixture was diluted ether (300 mL) and washed with water, brine and dried over Na2SO4. After evaporation of solvent, the residue was loaded on a column and eluted with 3% ethyl acetate in hexane to give title compound.

Reference： [1]Patent: US2010/184766,2010,A1 .Location in patent: Page/Page column 45

78
[ 1129633-21-1 ]
[ 122135-83-5 ]
[ 1129633-69-7 ]

Reference： [1]Bulletin of the Korean Chemical Society,2010,vol. 31,p. 742 - 745

79
[ 556-56-9 ]
[ 122135-83-5 ]
[ 138616-33-8 ]

Reference： [1]Chemistry - An Asian Journal,2011,vol. 6,p. 2147 - 2157

80
[ 5720-07-0 ]
[ 122135-83-5 ]
[ 942057-29-6 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3722 - 3725

81
[ 917-54-4 ]
[ 122135-83-5 ]
[ 104654-69-5 ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a stirred solution of CuCN (20.3 mmol, 1.80g, 1.4 eq) in dry 40 mL of Et2O under an N2 atmosphere at -50 C was added a solution of methyllithium (20.3 mmol, 1.6 M in diethyl ether,12.7 mL, 1.4 eq) dropwise. The reaction mixture was stirred at -50 C for 30 min and a solution of triflate (14.5 mmol, 5.52g, 1.0eq) in dry 10 mL of Et2O was added dropwise. The solution again was stirred at -50 C for 30 min. The reaction mixture was quenched with an ammonia solution of NH4Cl solid, and it was filtered over Celite and the aqueous layer was extracted with ethyl acetate. The combined organic layer was washed with water, brine and dried over Na2SO4. Evaporation of the solvent gave the ester product (2.30 g, 75% yield) which was carried to the next step without further purification.

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 11102 - 11105
Angewandte Chemie,2013,vol. 125,p. 11308 - 11311,4
[2]Journal of the American Chemical Society,2018,vol. 140,p. 7587 - 7597
[3]Tetrahedron Letters,2019,vol. 60,p. 1148 - 1152

82
[ 29786-93-4 ]
[ 122135-83-5 ]
[ 1643935-47-0 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 6180 - 6183
Angew. Chem.,2014,vol. 126,p. 6294 - 6297

83
[ 1068-55-9 ]
[ 122135-83-5 ]
[ 1643935-49-2 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 6180 - 6183
Angew. Chem.,2014,vol. 126,p. 6294 - 6297

84
[ 10147-11-2 ]
[ 122135-83-5 ]
ethyl 2-(3-phenylprop-1-yn-1-yl)cyclohex-1-ene-1-carboxylate [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2015,vol. 6,p. 329 - 333

85
[1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene](difluoromethyl)silver [ No CAS ]
[ 122135-83-5 ]
ethyl 2-(difluoromethyl)cyclohex-1-enecarboxylate [ No CAS ]

Reference： [1]Chemistry - A European Journal,2015,vol. 21,p. 6074 - 6078

86
[ 122135-83-5 ]
3,5-dimethoxybenzylzinc chloride [ No CAS ]
ethyl 2-(3,5-dimethoxybenzyl)cyclohex-1-enecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran; at 20℃;Inert atmosphere;	Step 2. Ethyl 2-(3,5-dimethoxybenzyl)cyclohex-l-enecarboxylate [0085] Palladium acetate (2.8 mg, 0.012 mmol) and SPhos (10.1 mg, 0.0239 mmol) were added to a solution of ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-l-enecarboxylate (293 mg, 0.967 mmol) in THF (1.0 mL). The reaction mixture was purged with nitrogen for 10 min and a solution of 3,5-dimethoxybenzylzinc chloride (Aldrich, 2.3 mL of a 0.5 M solution in THF, 1.2 mmol) was added drop-wise. After stirring at room temperature overnight, the reaction mixture was quenched with saturated aqueous NH4C1 and extracted with EtOAc (3x). The combined extracts were dried (MgS04), filtered and concentrated. The resulting crude residue was purified on a Teledyne-Isco Combiflash machine (24 g gold column, hexanes- 25% EtOAc/hexanes, gradient), to afford 194 mg (66%) of ethyl 2-(3,5-dimethoxybenzyl)cyclohex-l-enecarboxylate.

Reference： [1]Patent: WO2015/188152,2015,A1 .Location in patent: Paragraph 0084-0085

87
[ 86953-79-9 ]
[ 122135-83-5 ]
1,1-dimethylethyl 3-oxo-4,5,6,7-tetrahydro-1'H,3H-spiro[1-benzofuran-2,2'-pyrrolidine]-1'-carboxylate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 1391 - 1400

88
[ 505-23-7 ]
[ 122135-83-5 ]
spiro[4,5,6,7-tetrahydrobenzofuran-2(3H),2'-[1,3]dithian]-3-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 1391 - 1400

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Ghs Precautionary Statements

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P222	Do not allow contact with air.
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P235	Keep cool
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P321
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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.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
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
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
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

[ CAS No. 122135-83-5 ] {[proInfo.proName]}

Quality Control of [ 122135-83-5 ]

Related Doc. of [ 122135-83-5 ]

Product Details of [ 122135-83-5 ]

Calculated chemistry of [ 122135-83-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 122135-83-5 ]

Application In Synthesis of [ 122135-83-5 ]

[ 122135-83-5 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 122135-83-5 ]

Fluorinated Building Blocks

Alkenes

Aliphatic Cyclic Hydrocarbons

Esters

Sulfonates

Trifluoromethyls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 122135-83-5 ]