Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate
• CAS No.: 156274-32-7
• Molecular Formula: C₁₂H₁₀FNO₂S
• Molecular Weight: 251.281
• DSSTox Substance ID: DTXSID901200290
• Mol file: 156274-32-7.mol

Synonyms:methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate;156274-32-7;methyl 3-amino-4-(4-fluorophenyl)-2-thiophenecarboxylate;SCHEMBL15940251;BCIWGFJWPIUCEF-UHFFFAOYSA-N;DTXSID901200290;MFCD04116503;STK880399;AKOS005638496;BB 0242835;CS-0333997;METHYL3-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE;3-Amino-4-(4-fluoro-phenyl)-thiophene-2-car boxylic acid methyl ester;Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate, AldrichCPR

Chemical Property of Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 251.04162790
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

98% ^*data from raw suppliers

Methyl3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)F)N

Technology Process of Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate

There total 8 articles about Methyl 3-amino-4-(4-fluorophenyl)thiophene-2-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: 86.0%

3-amino-4-bromo-2-thiophenecarboxylic acid methyl ester (161833-42-7) + 4-fluoroboronic acid (1765-93-1) → methyl 3-amino-4-(4-fluorophenyl)-2-thiophenecarboxylate (156274-32-7)

Guidance literature:

With palladium diacetate; sodium carbonate; triphenylphosphine; In 1,4-dioxane; water; at 80 ℃; for 2h;

DOI:10.1002/bkcs.10878

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → methyl 3-amino-4-(4-fluorophenyl)-2-thiophenecarboxylate (156274-32-7)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₃ONa / methanol / 5 h / Ambient temperature

2: dimethylformamide / 2 h / Ambient temperature

3: 1.) CH₃ONa / 1.) CH₃OH, 30 min, 10 deg C, 2.) CH₃OH, reflux, 6 h

With sodium methylate; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570310208

Reference yield:

2-(p-fluorophenyl)-3-hydroxyacrylonitrile → methyl 3-amino-4-(4-fluorophenyl)-2-thiophenecarboxylate (156274-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

1.2: 40 °C / Inert atmosphere

2.1: sodium methylate / methanol / 65 °C / Inert atmosphere

With sodium methylate; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1016/j.ejmech.2014.08.027

upstream raw materials:

Methyl thioglycolate

4-fluorophenylacetonitrile

2-formyl-2-(4-fluorophenyl) acetonitrile

C₁₀H₈FNO

Downstream raw materials:

methyl 3-(1-pyrrolyl)-4-para-fluorohenyl-2-thiophenecarboxylate

4-(4-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid ethyl ester

7-(4-fluorophenyl)thieno<3,2-d>pyrimidine-2,4-dione

3-(3-Chloro-2,2-dimethyl-propionylamino)-4-(4-fluoro-phenyl)-thiophene-2-carboxylic acid methyl ester

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