Methyl 3-cyclopentylpropanoate

Base Information

• Chemical Name: Methyl 3-cyclopentylpropanoate
• CAS No.: 4300-02-1
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2916209090
• European Community (EC) Number: 968-567-5
• DSSTox Substance ID: DTXSID90515855
• Nikkaji Number: J80.792C
• Wikidata: Q82376964
• Mol file: 4300-02-1.mol

Synonyms:Methyl 3-cyclopentylpropanoate;4300-02-1;Cyclopentanepropanoic acid methyl ester;Cyclopentanepropionic acid methyl ester;Methyl3-cyclopentylpropanoate;SCHEMBL697221;DTXSID90515855;AB7510;MFCD12031704;AKOS008904737;3-cyclopentyl-propionic acid methylester;3-Cyclopentylpropionic acid, methyl ester;AS-44849;CS-0208208;EN300-65758;Z18434654

Chemical Property of Methyl 3-cyclopentylpropanoate

Chemical Property:

• Boiling Point: 90-92 °C
• PSA: 26.30000
• Density: 0.959±0.06 g/cm3(Predicted)
• LogP: 2.12980
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3-cyclopentylpropanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1CCCC1

Technology Process of Methyl 3-cyclopentylpropanoate

There total 10 articles about Methyl 3-cyclopentylpropanoate 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%

methanol (67-56-1) + 3-cyclopentylpropionic acid (140-77-2) → methyl 3-cyclopentyl propionate (4300-02-1)

Guidance literature:

With sulfuric acid; for 1h; Reflux;

DOI:10.1002/anie.202108534

Reference yield: 43.0%

Cyclopentane (287-92-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-cyclopentyl propionate (4300-02-1)

Guidance literature:

With tetrakis(tetrabutylammonium)decatungstate(VI); In acetonitrile; at 50 ℃; for 56h; Inert atmosphere; Irradiation;

DOI:10.1039/b917732a

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + cyclopentyl 1-phenylcyclohexa-2,5-diene-1-carboxylate (438188-74-0) → biphenyl (92-52-4,1594-86-1) + methyl 3-cyclopentyl propionate (4300-02-1) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With dibenzoyl peroxide; In benzene; for 48h; Heating;

DOI:10.1039/b110527m

upstream raw materials:

methanol

bicyclo[3.2.1]octan-2-one

β-Hydroxy-β-<Δ¹-cyclopentenyl>-propionsaeure-methylester

acrylic acid methyl ester

Downstream raw materials:

3-(4-Cyclopentylmethyl-3-hydroxy-5-oxo-tetrahydro-furan-3-ylmethyl)-1,5,5-trimethyl-imidazolidine-2,4-dione

perfluoro-(ethylcyclopentane)

perfluoro(cyclohexylacetyl fluoride)

perfluoro(1-oxaspiro<4.4>nonane)

Refernces

• 1、 Redondo, Nicolás,Dieuzeide, Maria L.,Amadeo, Norma. "Acid removal from crude oils by catalytic esterification naphthenic acid catalize by Mg/Al hydrotalcite". . p. 82 - 87. Retrieved 2020.
• 2、 Protti, Stefano,Ravelli, Davide,Fagnoni, Maurizio,Albini, Angelo. "Solar light-driven photocatalyzed alkylations. Chemistry on the window ledge". supporting information; experimental part. p. 7351 - 7353. Retrieved 2010/06/14.