1H-benzimidazole-1,2-diamine

Base Information

• Chemical Name: 1H-benzimidazole-1,2-diamine
• CAS No.: 29540-87-2
• Molecular Formula: C7H8N4
• Molecular Weight: 148.167
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50330627
• Nikkaji Number: J468.034K
• Wikidata: Q82095096
• ChEMBL ID: CHEMBL41060
• Mol file: 29540-87-2.mol

Synonyms:1H-benzimidazole-1,2-diamine;29540-87-2;benzimidazole-1,2-diamine;1H-Benzo[d]imidazole-1,2-diamine;1,2-Diaminobenzimidazole;1H-1,3-benzodiazole-1,2-diamine;Benzoimidazole-1,2-diamine;CHEMBL41060;Oprea1_843913;SCHEMBL2952899;DTXSID50330627;1H-Benzo[d]imidazol-1,2-diamine;1-amino-1H-benzimidazol-2-ylamine;1H-1,3-benzimidazole-1,2-diamine;BDBM50284871;MFCD00179019;STL431584;AKOS001013370;CS-0309000;EN300-14840;A902127;AE-848/30538008;J-504650;J-523296;Z56788891;F0451-1773

Chemical Property of 1H-benzimidazole-1,2-diamine

Chemical Property:

• Vapor Pressure: 7.44E-07mmHg at 25°C
• Melting Point: 256-259 °C
• Refractive Index: 1.774
• Boiling Point: 407.6 °C at 760 mmHg
• PKA: 6.33±0.10(Predicted)
• Flash Point: 200.3 °C
• PSA: 70.59000
• Density: 1.52 g/cm³
• LogP: 0.84360
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.074896272
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%Min ^*data from raw suppliers

1H-1,3-benzodiazole-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(N2N)N

Technology Process of 1H-benzimidazole-1,2-diamine

There total 5 articles about 1H-benzimidazole-1,2-diamine 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%

5H-2-methyl-1,2,4-triazepino[2,3-a]benzimidazolo-4-thione (499982-01-3) → 1,2-diaminobenzimidazole (29540-87-2)

Guidance literature:

With potassium hydroxide; for 1h; Heating;

DOI:10.1023/A:1019573532428

Reference yield: 86.0%

1H-benzimidazol-2-amine (934-32-7) → 1,2-diaminobenzimidazole (29540-87-2)

Guidance literature:

With potassium hydroxide; hydroxylamine-O-sulfonic acid; In water; at 40 - 45 ℃; for 0.5h;

DOI:10.1007/BF00479912

Reference yield: 81.0%

5H-2-methyl-3-phenylazo-1,2,4-triazepino[2,3-a]benzimidazol-3-one (499982-00-2) → 1,2-diaminobenzimidazole (29540-87-2)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; Heating;

DOI:10.1023/A:1019573532428

upstream raw materials:

1H-benzimidazol-2-amine

5H-2-methyl-1,2,4-triazepino[2,3-a]benzimidazolo-4-thione

5H-2-methyl-3-phenylazo-1,2,4-triazepino[2,3-a]benzimidazol-3-one

ZIN⁽⁴⁷⁷⁾C₀₀₉₁₂

Downstream raw materials:

4-(4-chlorophenyl)-2-phenylbenzo[4,5]imidazo[1,2-a]pyrimidine

2,4-diphenylbenzimidazo<1,2-a>pyrimidine

2-hydroxy-3-phenyl-10-formamidopyrimido<1,2-a>benzimidazol-4-one

2-amino-N₁-(4-methylbenzylideneamino)benzimidazole

Refernces

• 1、 Kumar, Ashok,Parshad, Mahavir,Gupta, Rakesh K.,Kumar, Devinder. "Hypervalent iodine mediated oxidation of 1,2-diaminobenzimidazole and its schiff bases: Efficient synthesis of 3-amino-1,2,4-benzotriazine and 2-aryl-1,2,4-triazolo[1,5-a]benzimidazoles". body text. p. 1663 - 1666. Retrieved 2009/12/10.
• 2、 -. "Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles". . . Retrieved 2008/06/13.