(2-Cyclopropyl-1H-benzimidazol-1-YL)acetic acid

Base Information

• Chemical Name: (2-Cyclopropyl-1H-benzimidazol-1-YL)acetic acid
• CAS No.: 97968-85-9
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.239
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40540117
• Wikidata: Q82416003
• Mol file: 97968-85-9.mol

Synonyms:(2-CYCLOPROPYL-1H-BENZIMIDAZOL-1-YL)ACETIC ACID;97968-85-9;2-(2-cyclopropylbenzimidazol-1-yl)acetic acid;2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)acetic acid;MFCD08691428;2-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)acetic acid;DTXSID40540117;XDA96885;AKOS009355311;VS-10217;CS-0270405;EN300-58807;VU0610637-1;2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)aceticacid;F3320-0842

Chemical Property of (2-Cyclopropyl-1H-benzimidazol-1-YL)acetic acid

Chemical Property:

• Vapor Pressure: 7.51E-10mmHg at 25°C
• Melting Point: 164-166 °C(Solv: ethanol (64-17-5))
• Boiling Point: 475.6oC at 760 mmHg
• PKA: 3.37±0.10(Predicted)
• Flash Point: 241.4oC
• PSA: 55.12000
• Density: 1.43g/cm3
• LogP: 1.99830
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 291

Purity/Quality:

98%min ^*data from raw suppliers

(2-cyclopropyl-1H-benzimidazol-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=NC3=CC=CC=C3N2CC(=O)O

Technology Process of (2-Cyclopropyl-1H-benzimidazol-1-YL)acetic acid

There total 3 articles about (2-Cyclopropyl-1H-benzimidazol-1-YL)acetic 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: 85.0%

Ethyl (2-cyclopropyl-1-benzimidazolyl)acetate (97968-81-5) → (2-Cyclopropyl-1-benzimidazolyl)acetic acid (97968-85-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.25h; Heating;

DOI:10.1002/ardp.19853180503

Reference yield:

benzoimidazole (51-17-2,79351-71-6) → (2-Cyclopropyl-1-benzimidazolyl)acetic acid (97968-85-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 29 percent / ammonium persulfate, 2 N aq. H₂SO₄ / AgNO₃ / acetonitrile / 1 h / 80 °C

2: 62 percent / copper(II) bronze / xylene / 18 h / 110 °C

3: 85 percent / 1N NaOH / ethanol / 0.25 h / Heating

With sodium hydroxide; ammonium persulfate; sulfuric acid; copper(II) bronze; silver nitrate; In ethanol; acetonitrile; xylene;

DOI:10.1002/ardp.19853180503

Reference yield:

2-cyclopropyl-1H-benzo[d]imidazole (16405-79-1) → (2-Cyclopropyl-1-benzimidazolyl)acetic acid (97968-85-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / copper(II) bronze / xylene / 18 h / 110 °C

2: 85 percent / 1N NaOH / ethanol / 0.25 h / Heating

With sodium hydroxide; copper(II) bronze; In ethanol; xylene;

DOI:10.1002/ardp.19853180503

upstream raw materials:

Ethyl (2-cyclopropyl-1-benzimidazolyl)acetate

benzoimidazole

2-cyclopropyl-1H-benzo[d]imidazole