Benzoxazole, 5-chloro-2-phenyl-

Base Information

• Chemical Name: Benzoxazole, 5-chloro-2-phenyl-
• CAS No.: 1019-90-5
• Molecular Formula: C13H8ClNO
• Molecular Weight: 229.666
• DSSTox Substance ID: DTXSID80354417
• Nikkaji Number: J473.542K
• Wikidata: Q82132533
• ChEMBL ID: CHEMBL1319768
• Mol file: 1019-90-5.mol

Synonyms:5-chloro-2-phenyl-1,3-benzoxazole;Benzoxazole, 5-chloro-2-phenyl-;1019-90-5;5-chloro-2-phenylbenzo[d]oxazole;MLS000110738;SMR000106667;5-chloro-2-phenylbenzoxazole;cid_773072;SCHEMBL2141073;CHEMBL1319768;BDBM76375;DTXSID80354417;HMS1689N11;HMS2355E19;STK299621;AKOS000644899;5-chloranyl-2-phenyl-1,3-benzoxazole;EU-0029283;SR-01000575230;SR-01000575230-1

Chemical Property of Benzoxazole, 5-chloro-2-phenyl-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.0294416
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl

Technology Process of Benzoxazole, 5-chloro-2-phenyl-

There total 66 articles about Benzoxazole, 5-chloro-2-phenyl- 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: 95.8%

benzaldehyde (100-52-7) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-phenyl-1,3-benzoxazole (1019-90-5)

Guidance literature:

benzaldehyde; 2-hydroxy-5-chloro-aniline; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 1h;

With oxygen; copper(II) acetylacetonate; In 5,5-dimethyl-1,3-cyclohexadiene; at 20 ℃;

Reference yield: 95.0%

p-chloro-o-nitrophenol (89-64-5) + benzyl alcohol (100-51-6,185532-71-2) → 5-chloro-2-phenyl-1,3-benzoxazole (1019-90-5)

Guidance literature:

With Au NCs/TiO₂; In toluene; at 130 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c4cc01822b

Reference yield: 94.0%

benzoyl chloride (98-88-4) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-phenyl-1,3-benzoxazole (1019-90-5)

Guidance literature:

With Al-Cu-Cl^- hydrotalcite; at 60 ℃; for 1h;

DOI:10.1016/j.catcom.2017.01.005

upstream raw materials:

benzoic acid

2-hydroxy-5-chloro-aniline

N-(5-chloro-2-hydroxyphenyl)benzamide

1-(benzyloxy)-4-chloro-2-nitrobenzene