5-Bromo-2-chloromethyl-1H-benzoimidazole

Base Information

• Chemical Name: 5-Bromo-2-chloromethyl-1H-benzoimidazole
• CAS No.: 1740-88-1
• Molecular Formula: C8H6BrClN2
• Molecular Weight: 245.50
• Hs Code.: 2933290090
• European Community (EC) Number: 692-297-4
• DSSTox Substance ID: DTXSID80529885
• Wikidata: Q82400634
• Mol file: 1740-88-1.mol

Synonyms:1740-88-1;5-BROMO-2-CHLOROMETHYL-1H-BENZOIMIDAZOLE;6-Bromo-2-(chloromethyl)-1H-Benzimidazole;5-BROMO-2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE;5-bromo-2-(chloromethyl)-1H-1,3-benzodiazole;6-bromo-2-(chloromethyl)-1H-benzo[d]imidazole;C8H6BrClN2;5-BROMO-2-(CHLOROMETHYL)-1H-BENZIMIDAZOLE;5-bromo-2-chloromethyl-1H-benzimidazole;1H-Benzimidazole,6-bromo-2-(chloromethyl)-;SCHEMBL1798574;AMY4800;DTXSID80529885;Magnesiummono-p-nitrobenzylmalonate;OWLMBJLZMJBNQJ-UHFFFAOYSA-N;BAA74088;MFCD00457491;AKOS009999390;AKOS015835966;AB06063;AS-5783;6-bromo-2-chloromethyl-1H-benzoimidazole;CS-0448613;A18310;EN300-135116

Chemical Property of 5-Bromo-2-chloromethyl-1H-benzoimidazole

Chemical Property:

• Boiling Point: 426.1 °C at 760 mmHg
• Flash Point: 211.5 °C
• PSA: 28.68000
• Density: 1.766 g/cm³
• LogP: 3.06420
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 243.94029
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-(chloromethyl)-1h-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=N2)CCl

Technology Process of 5-Bromo-2-chloromethyl-1H-benzoimidazole

There total 5 articles about 5-Bromo-2-chloromethyl-1H-benzoimidazole 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: 92.0%

ethyl chloroacetimidate hydrochloride (36743-66-5) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromo-2-(chloromethyl)-1H-benzo [d] imidazole (1740-88-1)

Guidance literature:

In ethanol; at 20 ℃; for 4h;

Reference yield: 92.0%

→ 5-bromo-2-(chloromethyl)-1H-benzo [d] imidazole (1740-88-1)

Guidance literature:

Reference yield: 91.0%

(5-bromo-1H-benzo[d]imidazol-2-yl)methanol (540516-28-7) → 5-bromo-2-(chloromethyl)-1H-benzo [d] imidazole (1740-88-1)

Guidance literature:

With thionyl chloride; for 5h;

DOI:10.3390/molecules200815206

upstream raw materials:

ethyl chloroacetimidate hydrochloride

4-Bromo-benzene-1,2-diamine

(5-bromo-1H-benzo[d]imidazol-2-yl)methanol

chloroacetic acid

Downstream raw materials:

(5-bromo-1H-benzimidazol-2-ylmethyl)-triphenyl-phosphonium chloride

N-[(5-bromo-1H-benzimidazol-2-yl)methyl]-2-chloroaniline

N-[(5-bromo-1H-benzimidazol-2-yl)methyl]-3-chloroaniline

N-[(5-bromo-1H-benzimidazol-2-yl)methyl]aniline

Refernces

• 1、 Zhang, Ling,Addla, Dinesh,Ponmani, Jeyakkumar,Wang, Ao,Xie, Dan,Wang, Ya-Nan,Zhang, Shao-Lin,Geng, Rong-Xia,Cai, Gui-Xin,Zhou, Cheng-He,Li, Shuo. "Discovery of membrane active benzimidazole quinolones-based topoisomerase inhibitors as potential DNA-binding antimicrobial agents". . p. 160 - 182. Retrieved 2018/05/17.
• 2、 -. "BENZIMIDAZOLE TRPV1 INHIBITORS". Page/Page column 43. . Retrieved 2008/12/06.