5-Chloro-3,4-diphenyl-1,2-oxazole

Base Information

• Chemical Name: 5-Chloro-3,4-diphenyl-1,2-oxazole
• CAS No.: 63954-98-3
• Molecular Formula: C15H10 Cl N O
• Molecular Weight: 255.703
• NSC Number: 143301
• DSSTox Substance ID: DTXSID60301424
• Wikidata: Q82045341
• Mol file: 63954-98-3.mol

Synonyms:63954-98-3;5-chloro-3,4-diphenylisoxazole;5-chloro-3,4-diphenyl-1,2-oxazole;NSC143301;SCHEMBL8478232;DTXSID60301424;YYSXLVDHORZDIP-UHFFFAOYSA-N;NSC-143301

Chemical Property of 5-Chloro-3,4-diphenyl-1,2-oxazole

Chemical Property:

• Vapor Pressure: 3.6E-05mmHg at 25°C
• Boiling Point: 364.1°C at 760 mmHg
• Flash Point: 174°C
• Density: 1.229g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.0450916
• Heavy Atom Count: 18
• Complexity: 261

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=C(ON=C2C3=CC=CC=C3)Cl

Technology Process of 5-Chloro-3,4-diphenyl-1,2-oxazole

There total 9 articles about 5-Chloro-3,4-diphenyl-1,2-oxazole 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: 74.0%

3,4-diphenylisoxazol-5-ol → 5-chloro-3,4-diphenylisoxazole (63954-98-3)

Guidance literature:

With triethylamine; trichlorophosphate; at 0 - 80 ℃; for 96.3333h;

DOI:10.1055/s-0036-1591576

Reference yield: 59.0%

(Z)-3,3,3-trichloro-1,2-diphenylpropan-1-one oxime → 5-chloro-3,4-diphenylisoxazole (63954-98-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 100 ℃; for 0.0833333h; Reagent/catalyst; Solvent; Temperature; Microwave irradiation;

DOI:10.1021/acs.joc.8b01406

Reference yield:

3-Oxo-2,3-diphenylpropenoic acid methyl ester (54108-62-2) → 5-chloro-3,4-diphenylisoxazole (63954-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride / methanol / 24 h / Reflux

2: trichlorophosphate; triethylamine / 96.33 h / 0 - 80 °C

With hydroxylamine hydrochloride; triethylamine; trichlorophosphate; In methanol;

DOI:10.1055/s-0036-1591576

upstream raw materials:

5-Oxo-3,4-diphenyl-4,5-dihydroisoxazol

4-nitrobenzohydroximoyl chloride

ethyl 2,3-diphenyl-3-oxopropanoate

3-Oxo-2,3-diphenylpropenoic acid methyl ester

Downstream raw materials:

5-(N,N'-dimethyl-hydrazino)-3,4-diphenyl-isoxazole

5-hydrazino-3,4-diphenyl-isoxazole

5-(N-methyl-hydrazino)-3,4-diphenyl-isoxazole

N¹-(3,4-Diphenyl-isoxazol-5-yl)-ethane-1,2-diamine