5-Chloro-1-methyl-1H-benzimidazol-2-amine

Base Information

• Chemical Name: 5-Chloro-1-methyl-1H-benzimidazol-2-amine
• CAS No.: 103748-25-0
• Molecular Formula: C₈H₈ClN₃
• Molecular Weight: 181.625
• European Community (EC) Number: 830-051-1
• UNII: 1XKW2888RV
• DSSTox Substance ID: DTXSID10879360
• Nikkaji Number: J484.325H
• Wikidata: Q27253077
• ChEMBL ID: CHEMBL2022292
• Mol file: 103748-25-0.mol

Synonyms:103748-25-0;5-Chloro-1-methyl-1H-benzimidazol-2-amine;5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine;5-chloro-1-methylbenzimidazol-2-amine;5-Chloro-1-methyl-2-aminobenzimidazole;1XKW2888RV;1H-Benzimidazol-2-amine,5-chloro-1-methyl-(9CI);CCRIS 4362;BRN 4994795;UNII-1XKW2888RV;1H-Benzimidazol-2-amine, 5-chloro-1-methyl-;SCHEMBL1977970;CHEMBL2022292;DTXSID10879360;AKOS009850427;EN300-59849;1-METHYL-2-AMINO-5-CHLOROBENZIMIDAZOLE;CHLORO-1-METHYL-1H-BENZIMIDAZOL-2-AMINE, 5-;Q27253077;Z234896367

Chemical Property of 5-Chloro-1-methyl-1H-benzimidazol-2-amine

Chemical Property:

• Vapor Pressure: 1.13E-05mmHg at 25°C
• Boiling Point: 370.1°Cat760mmHg
• Flash Point: 177.6°C
• PSA: 44.57000
• Density: 1.45g/cm³
• LogP: 1.73900
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.0406750
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

5-Chloro-1-methyl-1H-1,3-benzodiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)Cl)N=C1N

Technology Process of 5-Chloro-1-methyl-1H-benzimidazol-2-amine

There total 9 articles about 5-Chloro-1-methyl-1H-benzimidazol-2-amine 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: 86.0%

N-cyano-N-phenyl-p-toluenesulfonamide (55305-43-6) + 4-chloro-1-N-methylbenzene-1,2-diamine (59681-66-2) → 5-chloro-1-methyl-1H-benzimidazol-2-amine (103748-25-0)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; hexane; at 5 - 20 ℃; for 1h; Green chemistry;

DOI:10.1055/s-0034-1380166

Reference yield: 69.0%

(Z)-3-Chloro-10-methyl-9,10-dihydro-8H-7-thia-5,10-diaza-benzocycloocten-6-ylamine; hydrochloride (103748-20-5) → 5-chloro-1-methyl-1H-benzimidazol-2-amine (103748-25-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 1h; Heating;

DOI:10.1016/S0040-4020(01)96604-9

Reference yield:

C13H16ClN3O2 → 5-chloro-1-methyl-1H-benzimidazol-2-amine (103748-25-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 100 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2014.03.030

upstream raw materials:

(Z)-3-Chloro-10-methyl-9,10-dihydro-8H-7-thia-5,10-diaza-benzocycloocten-6-ylamine; hydrochloride

(4-Chloro-2-nitro-phenyl)-methyl-(2-thiocyanato-ethyl)-amine

Methanesulfonic acid 2-[(4-chloro-2-nitro-phenyl)-methyl-amino]-ethyl ester

2-(4chloro-N-methyl-2-nitranilino)ethanol

Downstream raw materials:

N-(5-Chloro-1-methyl-1H-benzoimidazol-2-yl)-4-methyl-benzamide

N-(5-Chloro-1-methyl-1H-benzoimidazol-2-yl)-4-methoxy-benzamide

N-(5-Chloro-1-methyl-1H-benzoimidazol-2-yl)-benzamide

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