AIDS-130347

Base Information

• Chemical Name: AIDS-130347
• CAS No.: 885-34-7
• Molecular Formula: C13H8BrNO
• Molecular Weight: 274.117
• Mol file: 885-34-7.mol

Synonyms:3-phenyl-5-bromo-2,1-benzisoxazole;5-Bromo-3-phenyl-<2,1>benzisoxazol;3-Phenyl-5-brombenzisoxazol;5-bromo-3-phenyl-2,1-benzisoxazole;

Chemical Property of AIDS-130347

Chemical Property:

• Vapor Pressure: 1.03E-06mmHg at 25°C
• Boiling Point: 414.9°C at 760 mmHg
• Flash Point: 204.7°C
• PSA: 26.03000
• Density: 1.514g/cm³
• LogP: 4.25730

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AIDS-130347

There total 4 articles about AIDS-130347 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: 99.0%

C13H8BrN3O → 5-Brom-3-phenyl-2,1-benzisoxazol (885-34-7)

Guidance literature:

In o-xylene; at 135 ℃; for 1h;

DOI:10.1007/s11172-019-2557-5

Reference yield: 93.0%

phenylacetonitrile (140-29-4) + para-nitrophenyl bromide (586-78-7) → 5-Brom-3-phenyl-2,1-benzisoxazol (885-34-7)

Guidance literature:

With sodium hydroxide; In ethanol; Ambient temperature;

Reference yield: 89.0%

2-amino-5-bromobenzophenone (39859-36-4) → 5-Brom-3-phenyl-2,1-benzisoxazol (885-34-7)

Guidance literature:

With iodosylbenzene; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1002/ejoc.202100756

upstream raw materials:

phenylacetonitrile

para-nitrophenyl bromide

2-amino-5-bromobenzophenone

Downstream raw materials:

2-Amino-5-brom-3-chlor-benzophenon

(2-amino-3,5-dibromophenyl)phenylmethanone

2-Amino-6-brom-5-hydroxy-benzophenon

5-bromo-(N-triphenylphosphoranylidene)-2-benzophenonamin

Refernces

• 1、 Hu, Yao,Wang, Ting,Liu, Yanzhao,Nie, Ruifang,Yang, Ninghong,Wang, Qiantao,Li, Guo-Bo,Wu, Yong. "Practical Synthesis of Benzimidazo[1,2- A[quinolines via Rh(III)-Catalyzed C-H Activation Cascade Reaction from Imidamides and Anthranils". supporting information. p. 501 - 504. Retrieved 2020/01/31.
• 2、 Orlov,Kotov,Tsivov,Rusakov. "Mechanism of formation of 2,1-benzisoxazoles in reactions of nitroarenes with arylacetonitriles". . p. 245 - 252. Retrieved 2015/04/14.