{2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid

Base Information

• Chemical Name: {2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid
• CAS No.: 62557-05-5
• Molecular Formula: C6H8N2O4S2
• Molecular Weight: 236.27
• Hs Code.: 2935009090
• European Community (EC) Number: 874-031-0
• DSSTox Substance ID: DTXSID40390174
• ChEMBL ID: CHEMBL502103
• Mol file: 62557-05-5.mol

Synonyms:62557-05-5;{2-[(methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid;(2-Methanesulfonylamino-thiazol-4-yl)-acetic acid;2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid;2-(2-(methylsulfonamido)thiazol-4-yl)acetic acid;MFCD07186383;2-(2-methanesulfonamido-1,3-thiazol-4-yl)acetic acid;(2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl)acetic acid;Trioctyltrimellitate;2-(2-methanesulfonamidothiazol-4-yl)-acetic acid;CHEMBL502103;SCHEMBL9481455;DTXSID40390174;FOYGOEJLNFZKGH-UHFFFAOYSA-N;BBL013007;STK288420;AKOS000111552;VS-03640;2-methanesulfonamidothiazol-4-ylacetic acid;BB 0238460;CS-0243983;FT-0755569;EN300-27056;2-(2-methanesulfonamidothiazol-4-yl)acetic acid;A915780;SR-01000325150;(2-Methanesulfonylamino-thiazol-4-yl)-acetic acid;SR-01000325150-1;BRD-K84161268-001-01-9;Z235344699;{2-[(Methanesulfonyl)amino]-1,3-thiazol-4-yl}acetic acid

Chemical Property of {2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid

Chemical Property:

• PSA: 132.98000
• LogP: 1.29550
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 235.99254909
• Heavy Atom Count: 14
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-(Methylsulfonamido)thiazol-4-yl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=NC(=CS1)CC(=O)O

Technology Process of {2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid

There total 5 articles about {2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic 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: 80.0%

methyl 2-(2-(methylsulfonamido)thiazol-4-yl)acetate → 2-(2-methanesulfonamidothiazol-4-yl)-acetic acid (62557-05-5)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 16h;

Reference yield:

(2-methanesulfonylamino-thiazol-4-yl)-acetic acid ethyl ester (62557-31-7) → 2-(2-methanesulfonamidothiazol-4-yl)-acetic acid (62557-05-5)

Guidance literature:

With potassium hydroxide; In water; ethyl acetate;

Reference yield:

ethyl 2-amino-1,3-thiazol-4-acetate (53266-94-7) → 2-(2-methanesulfonamidothiazol-4-yl)-acetic acid (62557-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; hydrogenchloride / dichloromethane; water; ethyl acetate

2: potassium hydroxide / water; ethyl acetate

With pyridine; hydrogenchloride; potassium hydroxide; In dichloromethane; water; ethyl acetate;

upstream raw materials:

(2-methanesulfonylamino-thiazol-4-yl)-acetic acid ethyl ester

ethyl 2-amino-1,3-thiazol-4-acetate

(2-amino-thiazol-4-yl)-acetic acid methyl ester

Downstream raw materials:

tert-butyl (S)-N-(2-hydroxy-3-phenoxypropyl)-N-[2-(4-{[2-(2-methanesulfonylaminothiazol-4-yl)acetyl]amino}phenyl)ethyl]carbamate

Refernces

• 1、 -. "3-Substituted-7-substituted alkanamido-3-cephem-4-carboxylic acid compounds". . . Retrieved 2008/06/13.