4-Acetamido-5-chlorothiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-Acetamido-5-chlorothiophene-2-carboxylic acid
• CAS No.: 89499-28-5
• Molecular Formula: C₇H₆ClNO₃S
• Molecular Weight: 219.649
• DSSTox Substance ID: DTXSID90527610
• Wikidata: Q82396828
• Mol file: 89499-28-5.mol

Synonyms:4-Acetamido-5-chlorothiophene-2-carboxylic acid;89499-28-5;DTXSID90527610

Chemical Property of 4-Acetamido-5-chlorothiophene-2-carboxylic acid

Chemical Property:

• PSA: 98.13000
• LogP: 2.70760
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.9756919
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(SC(=C1)C(=O)O)Cl

Technology Process of 4-Acetamido-5-chlorothiophene-2-carboxylic acid

There total 1 articles about 4-Acetamido-5-chlorothiophene-2-carboxylic acid 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: 69.0%

5-chloro-4-nitrothiophene-2-carboxylic acid (89166-85-8) + acetic anhydride (108-24-7) → 4-Acetylamino-5-chloro-thiophene-2-carboxylic acid (89499-28-5)

Guidance literature:

With iron; In acetic acid; at 75 - 80 ℃;

DOI:10.1007/BF00842830

Reference yield: 75.0%

4-Acetylamino-5-chloro-thiophene-2-carboxylic acid (89499-28-5) → 4-Amino-5-chloro-thiophene-2-carboxylic acid; hydrochloride (89499-36-5)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1007/BF00842830

Reference yield:

4-Acetylamino-5-chloro-thiophene-2-carboxylic acid (89499-28-5) → 4-Amino-5-chloro-thiophene-2-carboxylic acid methyl ester (89499-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / conc. HCl / Heating

2: diethyl ether / Ambient temperature

With hydrogenchloride; In diethyl ether;

DOI:10.1007/BF00842830

upstream raw materials:

5-chloro-4-nitrothiophene-2-carboxylic acid

acetic anhydride

Downstream raw materials:

4-Amino-5-chloro-thiophene-2-carboxylic acid; hydrochloride

4-Amino-5-chloro-thiophene-2-carboxylic acid methyl ester