3-Thiophenecarboxylic acid, 2-methyl-, methyl ester
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3-Thiophenecarboxylic acid, 2-methyl-, methyl ester
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CAS No:
53562-51-9
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Formula:
C7H8O2S
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Chemical Name:
3-Thiophenecarboxylic acid, 2-methyl-, methyl ester
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Synonyms:
3-Thiophenecarboxylic acid,2-methyl-,methyl ester;Methyl 2-methyl-3-thiophenecarboxylate;76360-39-9
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CAS No:
3-Thiophenecarboxylic acid, 2-methyl-, methyl ester Basic Attributes
156.204
156.20
DTXSID50520945
2934999090
3-Thiophenecarboxylic acid, 2-methyl-, methyl ester Use and Manufacturing
Thionyl chloride (200mL, 2.76mol) was slowly added dropwise to a solution of 9 (100g, 703mmol) in MeOH (500mL). After stirring at reflux for 3h, the mixture was concentrated under reduced pressure. The residue was diluted with CH2 (14.00 g, 98.60 mmol) was dissolved inmethanol (60 ml). Concentrated sulfuric acid (30 ml) was added dropwise at 0°C. The reaction mixture was stirred for 4 h at reflux, thenwas cooled to room temperature, and the solvent was evaporated under reducedpressure. The residue was partitioned between CHA solution of dimethyl acetone-1, 3-dicarboxylate (7) (51.4 g, 0.296 mol) in 1, 4-dioxane (75 mL) and then LiBr (28.2 g, 0.325 mol) were added to a stirred suspension of 2, 5-dihydroxy-1, 4-dithiane (30.0 g, 0.197 mol) in 1, 4-dioxane (300 mL). The mixture was stirred at reflux for 20 h. The mixture was filtered into a separating funnel and extracted with ethyl acetate (500 mL) and water (70 mL). The water layer was re-extracted with ethyl acetate (2.x.250 mL) and the combined organic layers were washed with aq HCl (500 mL, 1 M), aq NaHCO
Computed Properties
Molecular Weight:156.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:156.02450067
Monoisotopic Mass:156.02450067
Topological Polar Surface Area:54.5
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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InquiryCAS No.: 53562-51-9Grade: Pharmaceutical GradeContent: 99%
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