4-Acetylthiazole oxime

Base Information

• Chemical Name: 4-Acetylthiazole oxime
• CAS No.: 68158-16-7
• Molecular Formula: C₅H₆N₂OS
• Molecular Weight: 142.181
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID601308049
• Mol file: 68158-16-7.mol

Synonyms:68158-16-7;4-acetylthiazole oxime;1-(4-Thiazolyl)ethanone oxime;DTXSID601308049;Ethanone,1-(4-thiazolyl)-,oxime(9ci)

Chemical Property of 4-Acetylthiazole oxime

Chemical Property:

• PSA: 73.72000
• LogP: 1.34130
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 142.02008399
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

(1Z)-1-(1,3-Thiazol-4-yl)ethanone oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=CSC=N1

Technology Process of 4-Acetylthiazole oxime

There total 2 articles about 4-Acetylthiazole oxime 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: 98.0%

1-bromobutane-2,3-dione-3-oxime (2840-10-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-acetylthialoze oxime (68158-16-7)

Guidance literature:

With tetraphosphorus decasulfide; In tetrahydrofuran; for 6h;

Reference yield:

thiocarboxamide (115-08-2) + 1-bromobutane-2,3-dione-3-oxime (2840-10-0) → 4-acetylthialoze oxime (68158-16-7)

Guidance literature:

With diethyl ether; acetone;

DOI:10.1002/hlca.19400230122

Reference yield: 85.0%

4-acetylthialoze oxime (68158-16-7) → 1-(thiazol-4-yl)ethan-1-one (38205-66-2)

Guidance literature:

With formaldehyd; In water; 1.) RT, 15 h, 2.) 50 deg C, 1 h;

upstream raw materials:

thiocarboxamide

1-bromobutane-2,3-dione-3-oxime

formamide

Downstream raw materials:

1-(thiazol-4-yl)ethan-1-one

1-thiazol-4-yl-ethanone phenylhydrazone