Methyl 2-amino-5-phenylthiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-amino-5-phenylthiophene-3-carboxylate
• CAS No.: 61325-02-8
• Molecular Formula: C12H11NO2S
• Molecular Weight: 233.291
• Hs Code.: 2934999090
• European Community (EC) Number: 672-044-4
• DSSTox Substance ID: DTXSID80351623
• Nikkaji Number: J784.974E
• Wikidata: Q72487303
• ChEMBL ID: CHEMBL1389689
• Mol file: 61325-02-8.mol

Synonyms:methyl 2-amino-5-phenylthiophene-3-carboxylate;61325-02-8;methyl 2-amino-5-phenyl-3-thiophenecarboxylate;2-Amino-5-phenyl-thiophene-3-carboxylic acid methyl ester;n,n-di-n-butylthiourea;Methyl2-Amino-5-Phenylthiophene-3-Carboxylate;methyl 2-amino-5-phenyl-thiophene-3-carboxylate;Oprea1_082612;MLS000528771;SCHEMBL1563613;2-Amino-5-phenylthiophene-3-carboxylic acid methyl ester;CHEMBL1389689;DTXSID80351623;QKYRXLPXSJZIQM-UHFFFAOYSA-N;HMS1691F18;HMS2345P24;BBL016138;MFCD02090936;STK348721;AKOS000274139;FS-1361;SMR000121246;A8507;BB 0258157;CS-0247295;FT-0678522;EN300-363258;AK-968/41169840;Z56916086

Chemical Property of Methyl 2-amino-5-phenylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 8.62E-07mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 405.7 °C at 760 mmHg
• Flash Point: 199.1 °C
• PSA: 80.56000
• Density: 1.265 g/cm³
• LogP: 3.36510
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-amino-5-phenylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N

Technology Process of Methyl 2-amino-5-phenylthiophene-3-carboxylate

There total 7 articles about Methyl 2-amino-5-phenylthiophene-3-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

phenylacetaldehyde (122-78-1) + methyl 2-cyanoacetate (105-34-0) → 2-amino-5-phenylthiophene-3-carboxylic acid methyl ester (61325-02-8)

Guidance literature:

With sulfur; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); at 18 - 25 ℃;

Reference yield: 78.0%

methyl 2-amino-5-phenyl-4,5-dihydrothiophene-3-carboxylate (1262235-61-9) → 2-amino-5-phenylthiophene-3-carboxylic acid methyl ester (61325-02-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at -20 ℃; for 3h;

DOI:10.1039/c8cc09595g

Reference yield: 49.0%

→ 2-amino-5-phenylthiophene-3-carboxylic acid methyl ester (61325-02-8)

Guidance literature:

upstream raw materials:

phenylacetaldehyde

methyl 2-cyanoacetate

C₁₂H₁₁NO₂

methyl 2-amino-5-phenyl-4,5-dihydrothiophene-3-carboxylate

Downstream raw materials:

2-[3-(2-Chloro-ethyl)-ureido]-5-phenyl-thiophene-3-carboxylic acid methyl ester

4-oxo-2-phenyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxylic acid

4-oxo-2-phenyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxamide

4-oxo-2-phenyl-N-1H-tetrazol-5-yl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxamide