3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid

Base Information

• Chemical Name: 3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid
• CAS No.: 417727-64-1
• Molecular Formula: C₁₆H₂₀N₂O₂
• Molecular Weight: 272.347
• DSSTox Substance ID: DTXSID70385457
• Mol file: 417727-64-1.mol

Synonyms:417727-64-1;3-(1H-Benzo[d]imidazol-2-yl)-1,2,2-trimethylcyclopentanecarboxylic acid;SBB012166;Enamine_000624;3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid;Oprea1_170711;Oprea1_854464;CBDivE_013533;SCHEMBL23648719;DTXSID70385457;HMS1395M08;AKOS000300970;AKOS024307527;CS-0287796;SR-01000199961;SR-01000199961-1;Z56770878;3-(1H-Benzo[d]imidazol-2-yl)-1,2,2-trimethylcyclopentanecarboxylicacid;3-(1h-Benzo[d]imidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

Chemical Property of 3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid

Chemical Property:

• PSA: 65.98000
• LogP: 3.55740
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.152477885
• Heavy Atom Count: 20
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

3-(1H-Benzo[d]imidazol-2-yl)-1,2,2-trimethylcyclopentanecarboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC1(C)C(=O)O)C2=NC3=CC=CC=C3N2)C

Technology Process of 3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid

There total 4 articles about 3-(1H-Benzoimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid 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:

1,2-diamino-benzene (95-54-5) + camphoric anhydride (595-29-9) → 3-(1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid (417727-64-1)

Guidance literature:

at 150 - 160 ℃; 3-<1H-benzimidazol-2-yl>-1,2,2-trimethyl-cyclopentanecarboxylic acid higher-melting form;

Reference yield:

1,2-diamino-benzene (95-54-5) + camphoric anhydride (595-29-9) → 3-(1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid (417727-64-1)

Guidance literature:

With ethanol; 3-<1H-benzimidazol-2-yl>-1,2,2-trimethyl-cyclopentanecarboxylic acid lower-melting form;

Reference yield:

1,2-diamino-benzene (95-54-5) + camphoric anhydride (595-29-9) → 3-(1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid (417727-64-1)

Guidance literature:

With ethanol; 3-<1H-benzimidazol-2-yl>-1,2,2-trimethyl-cyclopentanecarboxylic acid higher-melting form;

upstream raw materials:

1,2-diamino-benzene

camphoric anhydride