Methyl3-amino-4-phenylthiophene-2-carboxylate
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Methyl3-amino-4-phenylthiophene-2-carboxylate
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CAS No:
82437-64-7
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Formula:
C12H11NO2S
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Chemical Name:
Methyl3-amino-4-phenylthiophene-2-carboxylate
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Synonyms:
methyl 3-amino-4-phenylthiophene-2-carboxylate;SCHEMBL1883906;3-Amino-4-phenyl-2-thiophenecarboxylic acid methyl ester;CTK5E9674;DTXSID10374906;KS-00003KE5;ZINC2557710;2746AC;ANW-62816;BBL004458
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CAS No:
Methyl3-amino-4-phenylthiophene-2-carboxylate Basic Attributes
233.29
233.05100
DTXSID10374906
2934999090
Safety Information
3
24/25
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory.
Methyl3-amino-4-phenylthiophene-2-carboxylate Use and Manufacturing
NaOMe (5M in MeOH, 3.5 mL, 17.6 mmol) followed by methylthioglycolate (1.8 mL, 20.1 mmol) was added to 3-methoxy-2-phenylacrylonitriles (2 g, 12.6 mmol). The reaction mixture was stirred and refluxed at 65 °C overnight. After the reaction, the mixture was filtered using celite and washed with methylene chloride. The crude compound was then purified by column chromatography (SiOExample 3 General procedure: General: NaOMe (1.4 eq) in MeOH followed by methyl thioglycolate (1.6 eq) were added to 3-methoxy-2-phenylacrylonitrile (1 eq). The reaction mixture was stirred and refluxed at 65 °C overnight. After the reaction, the mixture was filtered using celite and washed with methylene chloride. The crude compound was then purified by column chromatography (SiO
Computed Properties
Molecular Weight:233.29
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.05104977
Monoisotopic Mass:233.05104977
Topological Polar Surface Area:80.6
Heavy Atom Count:16
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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InquiryCAS No.: 82437-64-7Grade: Pharmaceutical GradeContent: 99%
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Methyl3-amino-4-phenylthiophene-2-carboxylate
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