(4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone
• CAS No.: 37442-03-8
• Molecular Formula: C14H8ClNO2S
• Molecular Weight: 289.742
• DSSTox Substance ID: DTXSID00597283
• Wikidata: Q82492797
• Mol file: 37442-03-8.mol

Synonyms:37442-03-8;Oprea1_661733;SCHEMBL9293888;DTXSID00597283;NZWDKPQRCHZWKP-UHFFFAOYSA-N;(4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone;3-(4-chlorobenzoyl)benzoxazolin-2-thione;3-(4-chlorobenzoyl)benzoxazoline-2-thione

Chemical Property of (4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 288.9964274
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C(=S)O2)C(=O)C3=CC=C(C=C3)Cl

Technology Process of (4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone

There total 1 articles about (4-Chlorophenyl)(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methanone 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:

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + 4-chloro-benzoyl chloride (122-01-0) → 3-(4-chloro-benzoyl)-3H-benzooxazole-2-thione (37442-03-8)

Guidance literature:

With triethylamine;

Reference yield:

3-(4-chloro-benzoyl)-3H-benzooxazole-2-thione (37442-03-8) + 10%-hydrochloric acid + 3-(1-methyloxindol-3-yl)-2-aminopropionic acid (95579-03-6) → 2-(4-chlorobenzoylamino)-3-(1-methyloxindol-3-yl)propionic acid (95597-10-7)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; 1N-sodium hydroxide;

Reference yield:

3-(4-chloro-benzoyl)-3H-benzooxazole-2-thione (37442-03-8) + 2-amino-3-(6-hydroxy-2-quinolon-3-yl)propionic acid hydrochloride → 2-(4-chlorobenzoylamino)-3-(6-hydroxy-2-quinolon-3-yl)propionic acid (90098-63-8)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; 1N-sodium hydroxide; ice-water;

upstream raw materials:

benzo[d]oxazole-2-(3H)-thione

4-chloro-benzoyl chloride

Downstream raw materials:

2-(4-chlorobenzoylamino)-3-(6-hydroxy-2-quinolon-3-yl)propionic acid

2-(4-chlorobenzoylamino)-3-(1-methyloxindol-3-yl)propionic acid