2-(2-Chloroacetamido)-4-thiazoleacetic acid

Base Information

• Chemical Name: 2-(2-Chloroacetamido)-4-thiazoleacetic acid
• CAS No.: 65243-18-7
• Molecular Formula: C₇H₇ClN₂O₃S
• Molecular Weight: 234.663
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30361454
• Wikidata: Q82143797
• Mol file: 65243-18-7.mol

Synonyms:2-(2-Chloroacetamido)-4-thiazoleacetic acid;65243-18-7;2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetic Acid;2-(2-(2-Chloroacetamido)thiazol-4-yl)acetic acid;2-(2-CHLOROACETAMIDO)-4-THIAZOLEACETIC AID;SCHEMBL6036808;DTXSID30361454;AKOS015893951;BP-11470;CS-0331476;2-(2-(2-Chloroacetamido)thiazol-4-yl)aceticacid;4-thiazoleacetic acid,2-[(2-chloroacetyl)amino]-;2-(2-CHLOROACETAMIDO)-4-THIAZOLEACETICACID;2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetic acid

Chemical Property of 2-(2-Chloroacetamido)-4-thiazoleacetic acid

Chemical Property:

• PSA: 107.53000
• LogP: 1.02050
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 233.9865910
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Chloroacetamido)-4-thiazoleaceticacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)NC(=O)CCl)CC(=O)O

Technology Process of 2-(2-Chloroacetamido)-4-thiazoleacetic acid

There total 1 articles about 2-(2-Chloroacetamido)-4-thiazoleacetic 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: 68.0%

2-chloroacetamido-4-thiazolyl acetic acid ethyl ester (19749-93-0) → 2-(2-chloroacetamidothiazol-4-yl)acetic acid (65243-18-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h;

DOI:10.1002/jhet.5570210435

Reference yield: 73.0%

2-(2-chloroacetamidothiazol-4-yl)acetic acid (65243-18-7) + diazodiphenylmethane (908093-98-1) → 2-Chloroacetamido-4-diphenylmethoxycarbonylmethylthiazole (79540-64-0)

Guidance literature:

In acetonitrile; for 4h; Ambient temperature;

DOI:10.1002/jhet.5570210435

Reference yield:

2-(2-chloroacetamidothiazol-4-yl)acetic acid (65243-18-7) → 2-Chloroacetamido-4-diphenylmethoxycarbonylmethylthiazole N-Oxide (94417-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / acetonitrile / 4 h / Ambient temperature

2: 64 percent / 85percent m-chloroperbenzoic acid / CHCl₃ / 48 h

With 3-chloro-benzenecarboperoxoic acid; In chloroform; acetonitrile;

DOI:10.1002/jhet.5570210435

upstream raw materials:

2-chloroacetamido-4-thiazolyl acetic acid ethyl ester

Downstream raw materials:

2-Chloroacetamido-4-diphenylmethoxycarbonylmethylthiazole

2-Chloroacetamido-4-diphenylmethoxycarbonylmethylthiazole N-Oxide

Refernces

• 1、 -. "1-SULFO-2-OXOAZETIDINE DERIVATIVES AND THEIR PRODUCTION". . . Retrieved 2011/08/10.
• 2、 Perrone,Alpegiani,Giudici,et al.. "Ring nitrogen functionalization of 2-aminothiazol-4-acetic acid derivatives. I. Synthesis and properties of novel 2-aminothiazole N-oxides". . p. 1097 - 1111. Retrieved 2007/10/02.