3-Cyclopentylprop-2-enoic acid

Base Information

• Chemical Name: 3-Cyclopentylprop-2-enoic acid
• CAS No.: 117929-79-0
• Molecular Formula: C8H12O2
• Molecular Weight: 140.18000
• European Community (EC) Number: 821-982-4
• DSSTox Substance ID: DTXSID20694965
• Mol file: 117929-79-0.mol

Synonyms:3-Cyclopentylprop-2-enoic acid;117929-80-3;DTXSID20694965;AKOS017469621

Chemical Property of 3-Cyclopentylprop-2-enoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.81740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

(E)-3-Cyclopentylprop-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C=CC(=O)O

Technology Process of 3-Cyclopentylprop-2-enoic acid

There total 5 articles about 3-Cyclopentylprop-2-enoic 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: 97.0%

cyclopentanealdehyde (872-53-7) + methyl (E)-3-cyclopentyl-2-propenoate → (E)-3-cyclopentylacrylic acid (117929-79-0)

Guidance literature:

methyl (E)-3-cyclopentyl-2-propenoate; With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

cyclopentanealdehyde; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 24.0%

Cyclopentane (287-92-3) + Propiolic acid (471-25-0) → 3-cyclopentyl-acrylic acid + (E)-3-cyclopentylacrylic acid (117929-79-0)

Guidance literature:

With benzophenone; for 1.5h; Irradiation;

DOI:10.1039/b517631j

Reference yield:

cyclopentylmagnesium bromide (33240-34-5) → (E)-3-cyclopentylacrylic acid (117929-79-0)

Guidance literature:

Multi-step reaction with 2 steps

2: pyridine; piperidine

With piperidine; pyridine;

DOI:10.1002/hlca.19550380525

upstream raw materials:

cyclopentanealdehyde

malonic acid

Cyclopentane

trimethylsilyl propiolate

Refernces

• 1、 -. "NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM". Page/Page column 122. . Retrieved 2011/12/14.