1-Methylcyclopentanecarboxylic acid

Base Information

• Chemical Name: 1-Methylcyclopentanecarboxylic acid
• CAS No.: 5217-05-0
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2916209090
• European Community (EC) Number: 821-874-7
• DSSTox Substance ID: DTXSID10911618
• Nikkaji Number: J833.678D
• Wikidata: Q27120427
• Metabolomics Workbench ID: 56422
• Mol file: 5217-05-0.mol

Synonyms:1-Methylcyclopentanecarboxylic acid;5217-05-0;1-methylcyclopentane-1-carboxylic acid;110378-86-4;Cyclopentanecarboxylic acid, 1-methyl-;Cyclopentanecarboxylic acid, methyl-;1-METHYL-1-CARBOXY-CYCLOPENTANE;SCHEMBL59896;methylcyclopentanecarboxylic acid;CHEBI:41476;methyl cyclopentanecarboxylic acid;DTXSID10911618;1-Methylcyclopentane carboxylic acid;MFCD08444320;1-Methylcyclopentanecarboxylic acid #;1-methyl-1-cyclopentanecarboxylic acid;AKOS000119283;1-methyl-cyclopentane-1-carboxylic acid;BS-13021;BB 0259514;CS-0135257;FT-0684023;EN300-24763;1-Methylcyclopentanecarboxylic acid, AldrichCPR;D78698;A871057;Q27120427;4-(9-ADENYL)-D-ERYTHRO-2,3-DIHYDROXYBUTYRICACID;Z199537270

Chemical Property of 1-Methylcyclopentanecarboxylic acid

Chemical Property:

• Refractive Index: 1.4529 (estimate)
• Boiling Point: 219°Cat760mmHg
• PKA: 5.00±0.20(Predicted)
• Flash Point: 103.1°C
• PSA: 37.30000
• Density: 1.073g/cm³
• LogP: 1.65130
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

98%Min ^*data from raw suppliers

1-Methylcyclopentanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC1)C(=O)O

Technology Process of 1-Methylcyclopentanecarboxylic acid

There total 22 articles about 1-Methylcyclopentanecarboxylic 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: 84.0%

methyl 1-methylcyclopentanecarboxylate (4630-83-5) → 1-methylcyclopentanecarboxylic acid (5217-05-0)

Guidance literature:

methyl 1-methylcyclopentanecarboxylate; With sodium hydroxide; In methanol;

With hydrogenchloride; In methanol; water; pH=2;

Reference yield: 64.0%

1-methyl-2-oxocyclohexane-1-carbaldehyde (37709-42-5) → 2-methylpimelic acid (52017-57-9) + 1-methylcyclopentanecarboxylic acid (5217-05-0)

Guidance literature:

With dihydrogen peroxide; In water; ethyl acetate; at 20 ℃; for 12h; Solvent; regioselective reaction; Green chemistry;

DOI:10.1002/anie.201609975

Reference yield: 54.0%

carbon monoxide (201230-82-2) + cyclohexene (110-83-8) → 1-methylcyclopentanecarboxylic acid (5217-05-0)

Guidance literature:

With Ph₄(CO)12; sulfuric acid; at 20 ℃; for 1h; under 760.051 Torr;

DOI:10.1021/jo991659u

upstream raw materials:

1-(1-methyl-cyclopentyl)-ethanone

1-chloro-1-methylcyclopentane

2-chloro-1-cyclopentylethan-1-one

cyclohexene

Downstream raw materials:

1-methylcyclopentanecarbonyl chloride

(1-methylcyclopentyl)methanol

1-methyl-cyclopentanecarboxylic acid phenyl ester

1-(4-methoxybenzyl)-N-(quinolin-8-yl)cyclopentanecarboxamide

Refernces

• 1、 -. "5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR". Page/Page column 31-32. . Retrieved 2019/01/16.
• 2、 -. "CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF". . . Retrieved 2019/04/05.