Identification | Back Directory | [Name]
Methyl 2-chlorothiophene-3-carboxylate | [CAS]
76360-42-4 | [Synonyms]
Methyl2-chlorothiophene-3-carboxylat Methyl 2-chlorothiophene-3-carboxylate 3-Thiophenecarboxylic acid, 2-chloro3-Thiophenecarboxylic acid, 2-chloro-, m3-Thiophenecarboxylic acid, 2-chloro-, methyl esterethyl ester-, methyl ester | [Molecular Formula]
C6H5ClO2S | [MDL Number]
MFCD14698135 | [MOL File]
76360-42-4.mol | [Molecular Weight]
176.62 |
Chemical Properties | Back Directory | [Boiling point ]
107-112 °C(Press: 15 Torr) | [density ]
1.371±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [InChI]
InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3 | [InChIKey]
GVIPSISZNQFLRF-UHFFFAOYSA-N | [SMILES]
C1(Cl)SC=CC=1C(OC)=O |
Hazard Information | Back Directory | [Synthesis]
To a 100 mL round bottom flask was added 2-chloro-3-thiophenecarboxylic acid (3 g, 18.45 mmol) and methanol (50 mL). With stirring at 0 °C, thionyl chloride (4.4 g, 37.29 mmol) was added slowly and dropwise. The reaction mixture was continued to be stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure by rotary evaporator. The concentrated residue was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1:10 to 1:8) as eluent. Finally, 3.2 g of methyl 2-chlorothiophene-3-carboxylate was obtained in 98% yield as a yellow oil. | [References]
[1] Patent: WO2017/184624, 2017, A1. Location in patent: Page/Page column 180; 181 [2] Patent: WO2018/109643, 2018, A1. Location in patent: Page/Page column 104; 106 |
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BePharm Ltd
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www.bepharm.com |
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Energy Chemical
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021-58432009 400-005-6266 |
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http://www.energy-chemical.com |
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