Bendazol

Base Information

• Chemical Name: Bendazol
• CAS No.: 621-72-7
• Molecular Formula: C14H12N2
• Molecular Weight: 208.263
• Hs Code.: 2942000000
• European Community (EC) Number: 210-703-6
• NSC Number: 631632,60020
• UNII: 26601THN1D
• DSSTox Substance ID: DTXSID80211157
• Nikkaji Number: J6.834I
• Wikidata: Q4083689
• NCI Thesaurus Code: C74427
• Metabolomics Workbench ID: 132001
• ChEMBL ID: CHEMBL355063
• Mol file: 621-72-7.mol

Synonyms:Benzimidazole,2-benzyl- (6CI,8CI);2-(Phenylmethyl)-1H-benzimidazole;2-Benzyl-1H-benzimidazole;2-Benzylbenzimidazole;Dibasol;Dibazol;Dibazole;Tromasedan;1H-Benzimidazole,2-(phenylmethyl)-;

Chemical Property of Bendazol

Chemical Property:

• Appearance/Colour: White or almost white crystalline powder
• Melting Point: 187oC
• Refractive Index: 1.6152 (estimate)
• Boiling Point: 453.5 °C at 760 mmHg
• PKA: 11.77±0.10(Predicted)
• Flash Point: 252.1 °C
• PSA: 28.68000
• Density: 1.193 g/cm³
• LogP: 3.15370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99%min , ^*data from raw suppliers

2-Benzyl-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2

Technology Process of Bendazol

There total 64 articles about Bendazol 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: 97.0%

N-(2-nitrophenyl)-2-phenylacetamide (1504-26-3) → 2-benzylbenzimidazole (621-72-7)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 10% palladium on activated carbon; In acetic acid; at 120 ℃; for 15h; Inert atmosphere;

DOI:10.1002/ejoc.201000985

Reference yield: 96.0%

phenylacetic acid (103-82-2) + 1,2-diamino-benzene (95-54-5) → 2-benzylbenzimidazole (621-72-7)

Guidance literature:

phenylacetic acid; 1,2-diamino-benzene; at 190 ℃; for 2h;

With sodium hydroxide; In water; at 5 ℃; for 24h;

DOI:10.1039/c3ob27404g

Reference yield: 92.0%

Benzeneacetamide (103-81-1) + 1,2-diamino-benzene (95-54-5) → 2-benzylbenzimidazole (621-72-7)

Guidance literature:

With hydrogenchloride; In water; at 150 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1039/c5ra00021a

upstream raw materials:

phenylacetaldehyde

1,2-diamino-benzene

phenylacetic acid

methyl imini ester hydrochloride of phenylacetic acid

Downstream raw materials:

2-benzyl-1-morpholinomethyl-1H-benzimidazole

N-<(2,4-dinitrophenyl)thio>-2-benzylbenzimidazole

1-(2-benzimidazolyl)-1,2-diphenylethylene

ethyl 2-(2-benzyl-1H-benzimidazol-1-yl)acetate

Refernces

• 1、 Kalashnikova et al.. "-". . . Retrieved 1974.
• 2、 Ganji, Lata R.,Gandhi, Lekha,Musturi, Venkataramana,Kanyalkar, Meena A.. "Design, synthesis, and evaluation of different scaffold derivatives against NS2B-NS3 protease of dengue virus". . p. 285 - 301. Retrieved 2020/11/19.
• 3、 -. "Preparation method 2 -substituted benzimidazole derivative". Paragraph 0053-0058. . Retrieved 2021/11/10.