3-(2-Benzoylcyclopropyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Benzoylcyclopropyl)propanoic acid
• CAS No.: 91910-01-9
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.252
• NSC Number: 139166
• DSSTox Substance ID: DTXSID00300830
• Mol file: 91910-01-9.mol

Synonyms:91910-01-9;3-(2-benzoylcyclopropyl)propanoic acid;NSC139166;DTXSID00300830;NSC-139166;3-(2-benzoyl-cyclopropyl)-propionic acid

Chemical Property of 3-(2-Benzoylcyclopropyl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.56E-07mmHg at 25°C
• Boiling Point: 396°C at 760 mmHg
• Flash Point: 207.5°C
• Density: 1.219g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1C(=O)C2=CC=CC=C2)CCC(=O)O

Technology Process of 3-(2-Benzoylcyclopropyl)propanoic acid

There total 4 articles about 3-(2-Benzoylcyclopropyl)propanoic 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:

→ 3-(2-benzoyl-cyclopropyl)-propionic acid (91910-01-9)

Guidance literature:

With sodium amide; benzene;

DOI:10.1021/ja01552a074

Reference yield:

4-benzoyloxycyclohexanone (23510-95-4) + potassium tert-butylate (865-47-4) + tert-butyl alcohol (75-65-0) → 3-(2-benzoyl-cyclopropyl)-propionic acid (91910-01-9)

Guidance literature:

DOI:10.1021/ja01538a064

Reference yield:

4-benzoyloxycyclohexanone (23510-95-4) + sodium amide + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-(2-benzoyl-cyclopropyl)-propionic acid (91910-01-9)

Guidance literature:

DOI:10.1021/ja01552a074

upstream raw materials:

4-benzoyloxycyclohexanone

potassium tert-butylate

tert-butyl alcohol

benzene

Downstream raw materials:

3-(2-benzoyl-cyclopropyl)-propionic acid amide