2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene

Base Information

• Chemical Name: 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene
• CAS No.: 100827-77-8
• Molecular Formula: C15H14ClNO3S
• Molecular Weight: 323.79
• DSSTox Substance ID: DTXSID10546343
• Wikidata: Q82424161
• Mol file: 100827-77-8.mol

Synonyms:100827-77-8;2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene;Methyl 3-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate;2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester;SCHEMBL9043186;DTXSID10546343;AKOS027446396

Chemical Property of 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene

Chemical Property:

• Vapor Pressure: 2.34E-10mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 505.9 °C at 760 mmHg
• Flash Point: 259.7 °C
• PSA: 97.63000
• Density: 1.345 g/cm³
• LogP: 3.90150
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 323.0382922
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl
• Uses: Intermediate in the preparation of platelet-activating factor (PAF) antagonists

Technology Process of 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene

There total 5 articles about 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene 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: 45.0%

methanol (67-56-1) + 3-(5-amino-4-(2-chlorobenzoyl)thiophen-2-yl)propionic acid (100827-78-9) → 2-amino-3-(2-carbomethoxyethyl)-6-(2-chlorobenzoyl)thiophene (100827-77-8)

Guidance literature:

With sulfuric acid; for 18h; Ambient temperature;

DOI:10.1002/jps.2600741205

Reference yield:

diethyl 2-(3-oxo-propyl)malonate (19515-61-8) → 2-amino-3-(2-carbomethoxyethyl)-6-(2-chlorobenzoyl)thiophene (100827-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / sulfur, Et₃N / dimethylformamide / 3 h / 60 - 70 °C

2: 30 g / KOH, water / methanol / 2 h / Heating

3: 45 percent / H₂SO₄ / 18 h / Ambient temperature

With potassium hydroxide; sulfuric acid; water; sulfur; triethylamine; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/jps.2600741205

Reference yield:

2-Chlorobenzoyl acetonitrile (40018-25-5) → 2-amino-3-(2-carbomethoxyethyl)-6-(2-chlorobenzoyl)thiophene (100827-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / sulfur, Et₃N / dimethylformamide / 3 h / 60 - 70 °C

2: 30 g / KOH, water / methanol / 2 h / Heating

3: 45 percent / H₂SO₄ / 18 h / Ambient temperature

With potassium hydroxide; sulfuric acid; water; sulfur; triethylamine; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/jps.2600741205

upstream raw materials:

methanol

3-(5-amino-4-(2-chlorobenzoyl)thiophen-2-yl)propionic acid

diethyl 2-(3-oxo-propyl)malonate

2-Chlorobenzoyl acetonitrile

Downstream raw materials:

2-bromoacetylamino-6-(2-carbomethoxyethyl)-3-(2-chlorobenzoyl)thiophene

7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepin-2-one

7-(2-carbomethoxyethyl)-5-(2-chlorophenyl)-1H-thieno<2,3-e>-1,4-diazepine-2-thione

2-Aminoacetylamino-3-o-chlorobenzoyl-5-(2-carbomethoxyethyl)thiophene

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