5-Bromo-2-phenylbenzimidazole

Base Information

• Chemical Name: 5-Bromo-2-phenylbenzimidazole
• CAS No.: 1741-50-0
• Molecular Formula: C13H9BrN2
• Molecular Weight: 273.132
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL4648990
• DSSTox Substance ID: DTXSID60513681
• Nikkaji Number: J2.177.159G
• Wikidata: Q72449216
• Mol file: 1741-50-0.mol

Synonyms:5-bromo-2-phenylbenzimidazole;1741-50-0;5-Bromo-2-phenyl-1H-benzo[d]imidazole;6-bromo-2-phenyl-1H-benzimidazole;6-bromo-2-phenyl-1H-benzo[d]imidazole;CHEMBL4648990;5-BROMO-2-PHENYL-1H-1,3-BENZODIAZOLE;1H-Benzimidazole, 6-bromo-2-phenyl-;5-bromo-a-phenyl benzimidazole;SCHEMBL3340103;SCHEMBL15288339;DTXSID60513681;GVFCYTFUNNARML-UHFFFAOYSA-N;BDBM50541095;MFCD09033221;AKOS014052852;AKOS023129254;AS-15700;CS-0196862;FT-0656943;F15014

Chemical Property of 5-Bromo-2-phenylbenzimidazole

Chemical Property:

• Vapor Pressure: 3.72E-08mmHg at 25°C
• Refractive Index: 1.708
• Boiling Point: 446.2 °C at 760 mmHg
• Flash Point: 223.6 °C
• PSA: 28.68000
• Density: 1.546 g/cm³
• LogP: 3.99240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 271.99491
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2-phenylbenzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Br

Technology Process of 5-Bromo-2-phenylbenzimidazole

There total 40 articles about 5-Bromo-2-phenylbenzimidazole 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%

benzylamine (100-46-9) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromo-2-phenyl-1H-benzo[d]imidazole (1741-50-0)

Guidance literature:

With 4-tert-butyl-5-methoxy-1,2-benzoquinone; oxygen; toluene-4-sulfonic acid; In acetonitrile; at 60 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.orglett.7b02786

Reference yield: 98.0%

benzaldehyde (100-52-7) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromo-2-phenyl-1H-benzo[d]imidazole (1741-50-0)

Guidance literature:

With 2,2'-bithiophene-embedded conjugated microporous polymer; air; In methanol; at 20 ℃; for 2.5h; Irradiation;

DOI:10.1039/d0cy01164a

Reference yield: 98.0%

benzaldehyde (100-52-7) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 6-bromo-2-phenyl-1H-benzo[d]imidazole (1741-50-0)

Guidance literature:

With air; TZ-HCP₁D polymer; In ethanol; at 20 ℃; for 1h; Irradiation;

DOI:10.1039/d0gc03719b

upstream raw materials:

N-(2-nitro-4-bromophenyl)benzamide

N′-(4-bromophenyl)benzamidine

hydrogenchloride

benzaldehyde

Downstream raw materials:

4-amino-8-(2-phenyl-1H-benzo[d]imidazol-6-yl)cinnoline-3-carboxamide

2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole

C₁₈H₁₅N₃O

2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole

Refernces

• 1、 -. "Benzimidazole compound as well as preparation method and application thereof". Paragraph 0131-0135. . Retrieved 2021/06/22.
• 2、 Vasu, Amrutham,Naresh, Mameda,Krishna Sai, Gajula,Divya Rohini, Yennamaneni,Murali, Boosa,Ramulamma, Madasu,Ramunaidu, Addipilli,Narender, Nama. "A heterogeneous catalytic strategy for facile production of benzimidazoles and quinoxalines from primary amines using the Al-MCM-41 catalyst". . p. 9439 - 9446. Retrieved 2021/12/09.