Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
• CAS No.: 307511-65-5
• Molecular Formula: C₁₅H₁₇NO₂S
• Molecular Weight: 275.371
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40352479
• Wikidata: Q82129648
• Mol file: 307511-65-5.mol

Synonyms:ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate;307511-65-5;MFCD01917263;Oprea1_218304;SCHEMBL3384989;DTXSID40352479;BBL016613;STK424899;3-Thiophenecarboxylic acid, 2-amino-4-(3,4-dimethylphenyl)-, ethyl ester;AKOS000266901;SB67076;AS-73004;FT-0705910;EN300-07883;SR-01000323391;SR-01000323391-1;Z56883512;F0745-0182;ethyl 2-amino-4-(3,4-dimethyl phenyl)thiophene-3-carboxylate;Ethyl 2-amino-4-(3,4-dimethylphenyl)-3-thiophenecarboxylate, AldrichCPR

Chemical Property of Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 5.57E-07mmHg at 25°C
• Melting Point: 80-83℃
• Refractive Index: 1.596
• Boiling Point: 411.5°C at 760 mmHg
• PKA: -0.04±0.14(Predicted)
• Flash Point: 202.6°C
• PSA: 80.56000
• Density: 1.179g/cm³
• LogP: 4.37200
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 275.09799996
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl2-Amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)N
• Uses: Ethyl 2-Amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate is a useful reagent for synthesis and evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2.

Technology Process of Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

There total 2 articles about Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-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:

ethyl 2-cyanoacetate (105-56-6) + 3,4-dimethylacetophenone (3637-01-2) → C15H17NO2S (307511-65-5)

Guidance literature:

With sulfur; triethylamine; In diethyl ether; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2010.12.025

Reference yield:

→ C15H17NO2S (307511-65-5)

Guidance literature:

Reference yield:

C15H17NO2S (307511-65-5) → 4-chloro-5-(3,4-dimethyl-phenyl)-thieno[2,3-d]pyrimidine (379241-56-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 24 h / 160 - 170 °C

2: phosphorus pentachloride; trichlorophosphate

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1016/j.ejmech.2010.12.025

upstream raw materials:

ethyl 2-cyanoacetate

3,4-dimethylacetophenone

Downstream raw materials:

4-chloro-5-(3,4-dimethyl-phenyl)-thieno[2,3-d]pyrimidine

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