2-Cyclohexyl-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-Cyclohexyl-3-phenylpropanoic acid
• CAS No.: 5638-33-5
• Molecular Formula: C15H20O2
• Molecular Weight: 232.3181
• European Community (EC) Number: 886-167-8
• NSC Number: 31604
• Mol file: 5638-33-5.mol

Synonyms:2-cyclohexyl-3-phenylpropanoic acid;5638-33-5;NSC31604;NSC-31604;AKOS017972533;CS-0253603;EN300-6475307;Z1321939907

Chemical Property of 2-Cyclohexyl-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 3.07E-06mmHg at 25°C
• Boiling Point: 373.4°C at 760 mmHg
• Flash Point: 270.3°C
• Density: 1.086g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(CC2=CC=CC=C2)C(=O)O

Technology Process of 2-Cyclohexyl-3-phenylpropanoic acid

There total 6 articles about 2-Cyclohexyl-3-phenylpropanoic 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:

2-Cyclohexyl-3-phenylpropansaeure-ethylester (97311-78-9) → 2-cyclohexyl-3-phenyl-propionic acid (5638-33-5)

Guidance literature:

With sodium hydroxide; In methanol; at 60 ℃;

DOI:10.1021/acs.orglett.5b01710

Reference yield:

benzyl-cyclohexyl-malonic acid diethyl ester (854885-47-5) → 2-cyclohexyl-3-phenyl-propionic acid (5638-33-5)

Guidance literature:

With potassium hydroxide; at 140 - 160 ℃; Erhitzen des Reaktionsprodukts auf 180grad;

DOI:10.1021/ja01200a004

Reference yield:

ethyl 2-cyclohexylacetate (5452-75-5) → 2-cyclohexyl-3-phenyl-propionic acid (5638-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / hexane / 1 h / -78 °C

1.2: -78 - 20 °C

2.1: sodium hydroxide / methanol / 60 °C

With sodium hydroxide; lithium diisopropyl amide; In methanol; hexane;

DOI:10.1021/acs.orglett.5b01710

upstream raw materials:

benzyl-cyclohexyl-malonic acid diethyl ester

diethyl 2-cyclohexylmalonate

2-Cyclohexyl-3-phenylpropansaeure-ethylester

benzyl bromide