Methyl cyclopentanecarboxylate

Base Information

• Chemical Name: Methyl cyclopentanecarboxylate
• CAS No.: 4630-80-2
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2916209090
• European Community (EC) Number: 225-049-7
• NSC Number: 87553
• UNII: J9UB5SWZ2R
• DSSTox Substance ID: DTXSID50196806
• Nikkaji Number: J45.090A
• Wikidata: Q63408847
• Mol file: 4630-80-2.mol

Synonyms:Methyl cyclopentanecarboxylate;4630-80-2;Cyclopentanecarboxylic acid, methyl ester;cyclopentanecarboxylic acid methyl ester;Cyclopentanoic acid methyl ester;MFCD00019290;J9UB5SWZ2R;AI3-03917;EINECS 225-049-7;NSC-87553;methyl cyclopentanoate;UNII-J9UB5SWZ2R;methylcyclopentane carboxylate;SCHEMBL17566;methyl cyclopentane carboxylate;1-(Methoxycarbonyl)cyclopentane;methyl-1-cyclopentanecarboxylate;Cyclopentanecarboxylic acid methyl;DTXSID50196806;BCP03424;NSC87553;BBL101651;NSC 87553;STL555447;AKOS005206769;CS-W005310;RS-1028;cyclopentane carboxylic acid methyl ester;AM803935;SY049570;Cyclopentane-1-carboxylic acid methyl ester;BB 0257893;FT-0624254;M2510;EN300-157050;A827024;(1-(4-Methylbenzyl)pyrrolidine-2,5-diyl)dimethanol;Q63408847;Z18376105

Chemical Property of Methyl cyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 2.55mmHg at 25°C
• Melting Point: 77-78℃
• Refractive Index: 1.4360
• Boiling Point: 81-82°C 5mm
• Flash Point: 81-82°C/5mm
• PSA: 26.30000
• Density: 1.014
• LogP: 1.34960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Difficult to mix.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl Cyclopentanecarboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCC1

Technology Process of Methyl cyclopentanecarboxylate

There total 26 articles about Methyl cyclopentanecarboxylate 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%

methanol (67-56-1) + carbon dioxide (124-38-9,18923-20-1) + cyclopentene (142-29-0) → methyl cyclopentane carboxylate (4630-80-2)

Guidance literature:

With dicobalt octacarbonyl; α-{Ru2Cl4(CO)6}; 1-butyl-3-methylimidazolium chloride; at 160 ℃; for 20h; under 30003 Torr; Autoclave; Inert atmosphere; Ionic liquid;

DOI:10.1039/c8gc02289e

Reference yield: 97.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + cyclopentene (142-29-0) → methyl cyclopentane carboxylate (4630-80-2)

Guidance literature:

With platinum(II) bis(acetylacetonate); C₂₈H₃₆P₂; toluene-4-sulfonic acid; at 120 ℃; for 20h; under 30402 Torr; Sealed tube; Inert atmosphere; Autoclave;

DOI:10.1039/d0cc00650e

Reference yield: 96.0%

methanol (67-56-1) + cyclopentanecarboxylic acid (3400-45-1) → methyl cyclopentane carboxylate (4630-80-2)

Guidance literature:

With sulfuric acid; In dichloromethane; for 15h; Heating;

DOI:10.1021/jo00076a055

upstream raw materials:

methanol

cyclopentanecarboxylic acid

methyl 1,3-cyclopentadiene-1-carboxylate

methyl 6-bromohexanoate

Downstream raw materials:

1-cyclopentyl-1-methylethanol

N-(2-aminoethyl)cyclopentanecarboxamide

Bis-(4-methoxy-phenyl)-cyclopentyliden-methan

1-but-3-enylcyclopentanecarboxylic acid methyl ester

Refernces

• 1、 Yamada, Jun-Ichi,Satoki, Shyuji,Mishima, Sachinori,Akashi, Nobutaka,Takahashi, Kouhei,Masuda, Nobuyuki,Nishimoto, Yasushi,Takasaki, Satoshi,Anzai, Hiroyuki. "Synthesis of unsymmetrical tetrathiafulvalene derivatives via Me3Al-promoted reactions of organotin compounds with esters". . p. 3987 - 3995. Retrieved 1996.
• 2、 Xia, Shi-Ping,Ding, Guang-Rong,Zhang, Rui,Han, Li-Jun,Xu, Bao-Hua,Zhang, Suo-Jiang. "Ruthenium complex immobilized on supported ionic-liquid-phase (SILP) for alkoxycarbonylation of olefins with CO2". . p. 3073 - 3080. Retrieved 2021/05/05.
• 3、 Deng, Xiaojun,Zhang, Luwen,Liu, Huixia,Bai, Yu,He, Wei. "mCPBA-mediated dioxygenation of unactivated alkenes for the synthesis of 5-imino-2-tetrahydrofuranyl methanol derivatives". supporting information. . Retrieved 2020/11/24.