5-Chloro-3-(2-methylphenyl)-1,2-oxazole

Base Information

• Chemical Name: 5-Chloro-3-(2-methylphenyl)-1,2-oxazole
• CAS No.: 192432-80-7
• Molecular Formula: C10H8ClNO
• Molecular Weight: 193.633
• DSSTox Substance ID: DTXSID80444680
• Nikkaji Number: J880.775B
• Wikidata: Q82262898
• Mol file: 192432-80-7.mol

Synonyms:5-chloro-3-(2-methylphenyl)-1,2-oxazole;192432-80-7;DTXSID80444680;3-(2-Methylphenyl)-5-chloroisoxazole;AKOS006332448;5-CHLORO-3-(2-METHYLPHENYL)ISOXAZOLE

Chemical Property of 5-Chloro-3-(2-methylphenyl)-1,2-oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 3.30340
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.0294416
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

5-CHLORO-3-(2-METHYLPHENYL)ISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NOC(=C2)Cl

Technology Process of 5-Chloro-3-(2-methylphenyl)-1,2-oxazole

There total 3 articles about 5-Chloro-3-(2-methylphenyl)-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: 17.0%

1-(2-methylphenyl)-2,2-dichlorocyclopropane (61693-47-8) → 5-Chloro-3-o-tolyl-isoxazole (192432-80-7) + 1-(2-methyl-5-nitrophenyl)-2,2-dichlorocyclopropane

Guidance literature:

With nitrosonium tetrafluoroborate; In acetonitrile; for 1.5h; Ambient temperature;

DOI:10.1021/jo962297i

Reference yield:

ethyl (2-methylbenzoyl)acetate (51725-82-7) → 5-Chloro-3-o-tolyl-isoxazole (192432-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH*HCl / ethanol

2: POCl₃

With hydroxylamine hydrochloride; trichlorophosphate; In ethanol;

DOI:10.1016/S0960-894X(01)00745-4

Reference yield:

3-(o-tolyl)isoxazol-5(4H)-one (31709-49-6) → 5-Chloro-3-o-tolyl-isoxazole (192432-80-7)

Guidance literature:

With trichlorophosphate;

DOI:10.1016/S0960-894X(01)00745-4

upstream raw materials:

1-(2-methylphenyl)-2,2-dichlorocyclopropane

3-(o-tolyl)isoxazol-5(4H)-one

ethyl (2-methylbenzoyl)acetate