2-Acetylamino-4-methylthiazole-5-carboxylic acid

Base Information

• Chemical Name: 2-Acetylamino-4-methylthiazole-5-carboxylic acid
• CAS No.: 63788-62-5
• Molecular Formula: C7H8N2O3S
• Molecular Weight: 200.218
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20357644
• Wikidata: Q82137645
• Mol file: 63788-62-5.mol

Synonyms:63788-62-5;2-Acetylamino-4-methylthiazole-5-carboxylic acid;2-Acetylamino-4-methyl-thiazole-5-carboxylic acid;2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid;2-acetamido-4-methylthiazole-5-carboxylic acid;BAS 06262725;2-Acetylamino-4-methylthiazole-5-carboxylicacid;Oprea1_696777;SCHEMBL3585209;DTXSID20357644;MFCD00548446;AKOS000111566;DS-14499;SY106889;BB 0238463;CS-0186527;FT-0727875;EN300-7360815;A868035;SR-01000362676;2-Acetylamino-4-methyl-thiazole-5-carboxylic acid;SR-01000362676-1

Chemical Property of 2-Acetylamino-4-methylthiazole-5-carboxylic acid

Chemical Property:

• PSA: 107.53000
• LogP: 1.18110
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 200.02556330
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

2-Acetylamino-4-methyl-thiazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)NC(=O)C)C(=O)O

Technology Process of 2-Acetylamino-4-methylthiazole-5-carboxylic acid

There total 3 articles about 2-Acetylamino-4-methylthiazole-5-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: 91.0%

2-amino-4-methyl-thiazole-5-carboxylic acid (67899-00-7) + acetyl chloride (75-36-5) → 2-(acetylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (63788-62-5)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 21h;

DOI:10.1016/j.bmc.2013.10.042

Reference yield:

ethyl-2-amino-4-methylthiazole-5-carboxylate (7210-76-6) → 2-(acetylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (63788-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄*H₂O / ethanol

With hydrazine hydrate; In ethanol;

Reference yield:

2-amino-4-methylthiazole-5-carboxylic acid hydrazide (63788-59-0) + acetic anhydride (108-24-7) → 2-(acetylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (63788-62-5)

Guidance literature:

upstream raw materials:

2-amino-4-methylthiazole-5-carboxylic acid hydrazide

acetic anhydride

ethyl-2-amino-4-methylthiazole-5-carboxylate

2-amino-4-methyl-thiazole-5-carboxylic acid

Downstream raw materials:

2-acetamido-4-methylthiazole

N-{5-[3-(3-hydroxypiperidin-1-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl}acetamide

2-acetamido-N-((1S)-1-(4-((3R)-1-(5-((2,2-difluorocyclopropyl)methoxy)pyridin-2-yl)pyrrolidin-3-yloxy)phenyl)ethyl)-4-methylthiazole-5-carboxamide

C₂₈H₃₁F₂N₅O₄S

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