2-cyclopropyl-1H-benzimidazole

Base Information

• Chemical Name: 2-cyclopropyl-1H-benzimidazole
• CAS No.: 16405-79-1
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70360148
• Nikkaji Number: J2.879.376F
• Wikidata: Q82141733
• ChEMBL ID: CHEMBL172461
• Mol file: 16405-79-1.mol

Synonyms:2-cyclopropyl-1H-benzimidazole;16405-79-1;2-Cyclopropyl-1H-benzoimidazole;2-cyclopropylbenzimidazole;2-cyclopropyl-1H-1,3-benzodiazole;1H-Benzimidazole,2-cyclopropyl-(9CI);CHEMBL172461;1H-Benzimidazole, 2-cyclopropyl-;2-cyclopropyl-benzimidazole;MLS000693587;F3000-0073;SCHEMBL2276872;DTXSID70360148;HMS1633M06;HMS2649A05;2-cyclopropyl-1H-benzo[d]imidazole;BDBM50404906;MFCD01859172;STK324690;AKOS000275087;BS-15582;SMR000285510;BB 0219599;CS-0074286;EN300-40337;VU0301806-3;D83009;Z55692910

Chemical Property of 2-cyclopropyl-1H-benzimidazole

Chemical Property:

• Melting Point: 227-229 °C
• Boiling Point: 389.9±11.0 °C(Predicted)
• PKA: 11.96±0.10(Predicted)
• PSA: 28.68000
• Density: 1.285±0.06 g/cm3(Predicted)
• LogP: 2.44030
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=NC3=CC=CC=C3N2

Technology Process of 2-cyclopropyl-1H-benzimidazole

There total 12 articles about 2-cyclopropyl-1H-benzimidazole 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: 98.0%

1,2-diamino-benzene (95-54-5) + Ethyl 3-cyclopropyl-3-oxopropionate (24922-02-9) → 2-cyclopropyl-1H-benzo[d]imidazole (16405-79-1)

Guidance literature:

With ethanolamine-phosphoric acid functionalized polyacrylonitrile fibers (PAN_EAPF); In water; at 80 ℃; for 6h; Green chemistry;

DOI:10.1039/c7gc02935g

Reference yield: 96.0%

1,2-diamino-benzene (95-54-5) + Cyclopropanecarboxaldehyde (1489-69-6) → 2-cyclopropyl-1H-benzo[d]imidazole (16405-79-1)

Guidance literature:

With air; In toluene; at 25 ℃; for 12h; under 760.051 Torr; Green chemistry;

DOI:10.1039/c2gc36416f

Reference yield: 83.0%

N-phenylcyclopropanecarboximidamide (1342132-54-0) → 2-cyclopropyl-1H-benzo[d]imidazole (16405-79-1)

Guidance literature:

With phenyliodine(III) diacetate; caesium carbonate; In 2,2,2-trifluoroethanol; at 25 ℃; for 1.5h;

DOI:10.1002/chem.201202271

upstream raw materials:

Cyclopropyl methyl ketone

1,2-diamino-benzene

cyclopropanecarboxylic acid

benzoimidazole

Downstream raw materials:

(2-Cyclopropyl-1-benzimidazolyl)acetic acid