Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate
• CAS No.: 4815-43-4
• Molecular Formula: C19H17NO2S
• Molecular Weight: 323.40900
• DSSTox Substance ID: DTXSID401234852
• ChEMBL ID: CHEMBL291935
• Mol file: 4815-43-4.mol

Synonyms:ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate;4815-43-4;CHEMBL291935;D0V2VU;Oprea1_587100;2-Amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester;DTXSID401234852;BDBM50299476;MFCD00688367;AKOS026670593;Ethyl 2-amino-4,5-diphenyl-3-thiophenecarboxylate;ethyl2-amino-4,5-diphenylthiophene-3-carboxylate;Ethyl 2-Amino-4,5-diphenylthiophene-3-carboxylate, 97%, AldrichCPR

Chemical Property of Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

Chemical Property:

• Melting Point: 146 °C (ethanol)
• PSA: 80.56000
• LogP: 5.42220
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 323.09799996
• Heavy Atom Count: 23
• Complexity: 391

Purity/Quality:

95% ^*data from raw suppliers

Ethyl2-amino-4,5-diphenylthiophene-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)N

Technology Process of Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

There total 6 articles about Ethyl 2-amino-4,5-diphenylthiophene-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: 59.0%

2-cyano-3,4-diphenyl-crotonic acid ethyl ester (14442-50-3) → 2-amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester (4815-43-4)

Guidance literature:

With sulfur; In ethanol; at 50 ℃;

DOI:10.1016/j.ejmech.2009.09.025

Reference yield:

phenyl benzyl ketone (451-40-1) → 2-amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester (4815-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; TiCl₄ / tetrahydrofuran / 0 - 20 °C

2: sulfur; Et₂NH / tetrahydrofuran / 1 h / 20 °C

With pyridine; titanium tetrachloride; sulfur; diethylamine; In tetrahydrofuran; 1: Knoevenagel condensation;

DOI:10.1021/jm020295m

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → 2-amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester (4815-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; TiCl₄ / tetrahydrofuran / 0 - 20 °C

2: sulfur; Et₂NH / tetrahydrofuran / 1 h / 20 °C

With pyridine; titanium tetrachloride; sulfur; diethylamine; In tetrahydrofuran; 1: Knoevenagel condensation;

DOI:10.1021/jm020295m

upstream raw materials:

2-cyano-3,4-diphenyl-crotonic acid ethyl ester

phenyl benzyl ketone

ethyl 2-cyanoacetate

phenylacetyl chloride

Downstream raw materials:

N-[3-(biphenyl-4-carbonyl)-4,5-diphenylthiophen-2-yl]-2,2,2-trifluoroacetamide

N-[3-(naphthalene-2-carbonyl)-4,5-diphenylthiophen-2-yl]-2,2,2-trifluoroacetamide

N-[3-(3-chlorobenzoyl)-4,5-diphenylthiophen-2-yl]-2,2,2-trifluoroacetamide

N-[3-(4-chlorobenzoyl)-4,5-diphenylthiophen-2-yl]-2,2,2-trifluoroacetamide

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