Methyl 4-cyclopentylbenzoate

Base Information

• Chemical Name: Methyl 4-cyclopentylbenzoate
• CAS No.: 160598-47-0
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.269
• European Community (EC) Number: 822-737-4
• Mol file: 160598-47-0.mol

Synonyms:Methyl 4-cyclopentylbenzoate;160598-47-0;Benzoic acid, 4-cyclopentyl-, methyl ester;MFCD20486551;Methyl4-cyclopentylbenzoate;SCHEMBL16684739;AKOS023100792;DS-3207;SY114910;CS-0150813;C73038;EN300-212000;A883196;Z1509544429

Chemical Property of Methyl 4-cyclopentylbenzoate

Chemical Property:

• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-cyclopentylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C2CCCC2

Technology Process of Methyl 4-cyclopentylbenzoate

There total 14 articles about Methyl 4-cyclopentylbenzoate 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: 99.0%

Methyl 4-chlorobenzoate (1126-46-1) + cyclopentylzinc bromide lithium chloride → Methyl 4-cyclopentylbenzoate (160598-47-0)

Guidance literature:

With Pd-PEPPSI-IPr^An; In tetrahydrofuran; 1,4-dioxane; at 0 - 20 ℃; for 1h; Reagent/catalyst; Concentration; Solvent; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo400803s

Reference yield: 99.0%

4-methoxycarbonylphenyl bromide (619-42-1) + cyclopentylzinc bromide lithium chloride → Methyl 4-cyclopentylbenzoate (160598-47-0)

Guidance literature:

With Pd-PEPPSI-IPr^An; In tetrahydrofuran; 1,4-dioxane; at 20 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo400803s

Reference yield: 92.0%

cyclopentyltrifluoro-λ4-borane potassium salt (1040745-70-7) + 4-methoxycarbonylphenyl bromide (619-42-1) → Methyl 4-cyclopentylbenzoate (160598-47-0)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); Ir(dF(CF₃)ppy)2(bpy)PF₆; caesium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; 1,4-dioxane; at 24 ℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/ja512946e

upstream raw materials:

methanol

p-cyclopentylbenzoic acid

Cyclopentyl bromide

cyclopentylbenzene

Downstream raw materials:

4-Cyclopentylbenzaldehyde

(4-cyclopentylphenyl)methanol