5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole

Base Information

• Chemical Name: 5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole
• CAS No.: 887-90-1
• Molecular Formula: C13H7 Br Cl N O
• Molecular Weight: 308.56
• Hs Code.: 2934999090
• Mol file: 887-90-1.mol

Synonyms:2,1-Benzisoxazole,5-bromo-3-(p-chlorophenyl)- (6CI,7CI,8CI);5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole; NSC 406613

Chemical Property of 5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole

Chemical Property:

• Vapor Pressure: 1.67E-07mmHg at 25°C
• Boiling Point: 439.3°C at 760 mmHg
• PKA: -5.29±0.30(Predicted)
• Flash Point: 219.5°C
• PSA: 26.03000
• Density: 1.598g/cm³
• LogP: 4.91070

Purity/Quality:

98%min ^*data from raw suppliers

5-BROMO-3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole

There total 3 articles about 5-Bromo-3-(4-chlorophenyl)-2,1-benzisoxazole 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:

5-bromo-2-nitrobenzaldehyde (20357-20-4) → 5-bromo-3-(4-chlorophenyl)-2,1-benzisoxazole (887-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tin(II) chloride hydrate / ethyl acetate; methanol / 24 h / 20 °C

2.1: tetrafluoroboric acid; sodium nitrite / water / 0.67 h / 0 °C

2.2: 4 h / 20 °C / Irradiation

With tetrafluoroboric acid; tin(II) chloride hydrate; sodium nitrite; In methanol; water; ethyl acetate;

DOI:10.1021/acs.orglett.0c01999

Reference yield:

5-bromobenzo[c]isoxazole (4682-91-1) + 4-chloro-aniline (106-47-8) → 5-bromo-3-(4-chlorophenyl)-2,1-benzisoxazole (887-90-1)

Guidance literature:

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

5-bromobenzo[c]isoxazole; With Eosin Y; In acetonitrile; at 20 ℃; for 4h; Irradiation;

DOI:10.1021/acs.orglett.0c01999

Reference yield:

→ 5-bromo-3-(4-chlorophenyl)-2,1-benzisoxazole (887-90-1)

Guidance literature:

4-Nitro-brom-benzol, 4-Chlor-phenylacetonitril, methanol. KOH;

DOI:10.1021/jo01081a015

upstream raw materials:

5-bromobenzo[c]isoxazole

4-chloro-aniline

5-bromo-2-nitrobenzaldehyde

Downstream raw materials:

(2-amino-5-bromo-phenyl)-(4-chloro-phenyl)methanone

Refernces