2-Chloro-5-methyl-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-Chloro-5-methyl-1H-benzo[d]imidazole
• CAS No.: 4887-94-9
• Molecular Formula: C8H7ClN2
• Molecular Weight: 166.60800
• Hs Code.: 2933990090
• European Community (EC) Number: 841-058-4
• DSSTox Substance ID: DTXSID70469680
• Wikidata: Q82297501
• Mol file: 4887-94-9.mol

Synonyms:2-Chloro-5-methyl-1H-benzo[d]imidazole;4887-94-9;2-chloro-5-methyl-1H-benzimidazole;2-chloro-6-methyl-1H-benzimidazole;1H-Benzimidazole,2-chloro-5-methyl-(9CI);2-chloro-5-methylbenzimidazole;2-chloro-6-methyl-1H-benzoimidazole;SCHEMBL827359;DTXSID70469680;KBSHNSLMNALPCU-UHFFFAOYSA-N;MFCD11046672;AKOS006308100;2-chloro-6-methyl-1H-1,3-benzodiazole;CS-0152916;D83506;EN300-109133

Chemical Property of 2-Chloro-5-methyl-1H-benzo[d]imidazole

Chemical Property:

• PSA: 28.68000
• LogP: 2.52470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.0297759
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-5-methylbenzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)Cl
• Uses: 2-Chloro-5-methylbenzimidazole acts as a reagent for the design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drug, synthesis of unsymmetrical 2,2’-bisbenzimidazole sulfide of pharmacological interest.

Technology Process of 2-Chloro-5-methyl-1H-benzo[d]imidazole

There total 7 articles about 2-Chloro-5-methyl-1H-benzo[d]imidazole 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: 64.0%

5-methyl-1,3-dihydro-2H-benzimidazol-2-one (5400-75-9) → 2-chloro-5-methyl-1H-1,3-benzimidazole (4887-94-9)

Guidance literature:

With trichlorophosphate; at 90 ℃; for 3h;

Reference yield: 55.0%

5-methyl-1,3-dihydro-2H-benzimidazol-2-one (5400-75-9) → 2-chloro-6-methyl-1H-benzo[d]imidazole (4887-94-9)

Guidance literature:

5-methyl-1,3-dihydro-2H-benzimidazol-2-one; With hydrogenchloride; trichlorophosphate; for 15h;

With ammonia; In water; pH=8;

Reference yield:

5-methyl-2-oxo-1,3-di-tert-butoxycarbonyl-2H-benzo[d]imidazole → 2-chloro-5-methyl-1H-1,3-benzimidazole (4887-94-9)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

upstream raw materials:

5-methyl-1,3-dihydro-2H-benzimidazol-2-one

4-methyl-1,2-diaminobenzene

Downstream raw materials:

C₁₈H₁₆N₄O

C₂₃H₁₈N₄O

1-(5-methyl-1H-benzimidazol-2-yl)-3-methyl-4-(phenylmethyl)-1H-pyrazol-5-ol

2-hydrazinyl-5-methyl-1H-benzo[d]imidazole

Refernces

• 1、 -. "Preparation method of 2-substituted benzimidazole derivative". Paragraph 0020; 0025; 0026. . Retrieved 2018/04/01.
• 2、 -. "NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF". Paragraph 0103-0105. . Retrieved 2015/02/18.