2,1-Benzisoxazole, 3-(4-chlorophenyl)-

Base Information

• Chemical Name: 2,1-Benzisoxazole, 3-(4-chlorophenyl)-
• CAS No.: 38046-68-3
• Molecular Formula: C13H8ClNO
• Molecular Weight: 229.666
• Mol file: 38046-68-3.mol

Synonyms:2,1-BENZISOXAZOLE, 3-(4-CHLOROPHENYL)-;3-(4-Chlor-phenyl)-benz[c]isoxazol;3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOLE;3-(4-Chlorphenyl)anthranil;3-(4-chloro-phenyl)-benz[c]isoxazole;

Chemical Property of 2,1-Benzisoxazole, 3-(4-chlorophenyl)-

Chemical Property:

• PSA: 26.03000
• LogP: 4.14820

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,1-Benzisoxazole, 3-(4-chlorophenyl)-

There total 9 articles about 2,1-Benzisoxazole, 3-(4-chlorophenyl)- 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: 78.0%

2-Azido-4'-chlor-benzophenon (37892-47-0) → 3-(4-chlorophenyl)benzo[c]isoxazole (38046-68-3)

Guidance literature:

With iron(II) bromide; In dichloromethane; at 40 ℃; for 16h; Inert atmosphere; Molecular sieve;

DOI:10.1021/ol101040p

Reference yield: 42.0%

2-(4-chlorophenyl)-2-(2-nitrophenyl)acetonitrile → 3-(4-chlorophenyl)benzo[c]isoxazole (38046-68-3)

Guidance literature:

With trifluorormethanesulfonic acid; In neat (no solvent); at 20 ℃;

DOI:10.1021/acs.joc.1c00091

Reference yield:

anthranil (271-58-9) + 4-chloro-aniline (106-47-8) → 3-(4-chlorophenyl)benzo[c]isoxazole (38046-68-3)

Guidance literature:

4-chloro-aniline; With tetrafluoroboric acid; sodium nitrite; In water; at 0 ℃; for 0.666667h;

anthranil; With Eosin Y; In acetonitrile; at 20 ℃; for 4h; Reagent/catalyst; Solvent; Catalytic behavior; Irradiation;

DOI:10.1021/acs.orglett.0c01999

upstream raw materials:

3-(4-chlorophenyl)-3-hydroxyisoindolin-1-one

water

bromine

4'-chloro-o-benzoylbenzoic acid chloride

Downstream raw materials:

4-(4-chlorophenyl)-2-methylquinoline

(4-chlorophenyl)(2-(phenylamino)phenyl)methanone

N-(2-(4-chlorobenzoyl)phenyl)benzamide

2-amino-4'-chlorobenzophenone

Refernces

• 1、 Adak, Tapas,Hashmi, A. Stephen K.,Hu, Chao,Li, Jun,Rudolph, Matthias. "Metal-Free, Visible-Light-Enabled Direct C3-H Arylation of Anthranils". supporting information. . Retrieved 2020/07/24.