2-(2-methylcyclopentyl)acetic Acid

Base Information

• Chemical Name: 2-(2-methylcyclopentyl)acetic Acid
• CAS No.: 116530-98-4
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID80402265
• Nikkaji Number: J540.898I
• Mol file: 116530-98-4.mol

Synonyms:2-(2-methylcyclopentyl)acetic Acid;116530-98-4;(2-Methyl-cyclopentyl)-acetic acid;2-(2-Methylcyclopentyl)aceticacid;SCHEMBL301401;2-Methylcyclopentaneacetic acid;DTXSID80402265;MFCD06411211;AKOS006229092;(2-METHYL-CYCLOPENTYL)-ACETICACID;CS-0441552;EN300-140200;A1-32388;J-505668;Z1198168867

Chemical Property of 2-(2-methylcyclopentyl)acetic Acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.89730
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Methylcyclopentyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC1CC(=O)O

Technology Process of 2-(2-methylcyclopentyl)acetic Acid

There total 10 articles about 2-(2-methylcyclopentyl)acetic 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 6-phenylthio-1-heptene (477482-11-4) → (trans-2-methylcyclopentyl)acetic acid (116530-98-4,148962-89-4,148962-90-7)

Guidance literature:

6-phenylthio-1-heptene; With 4,4'-di(tert-butyl)-[1,1-biphenyl]yllithium; In tetrahydrofuran; at -78 ℃; for 0.25h;

carbon dioxide; In tetrahydrofuran; for 1h; cooling;

DOI:10.1021/jo052535m

Reference yield:

formic acid (64-18-6) + 1-methyl-2-methylene-cyclopentane (41158-41-2) → (+/-)-(cis-2-methyl-cyclopentyl)-acetic acid (116530-98-4,148962-89-4,148962-90-7) + (trans-2-methylcyclopentyl)acetic acid (116530-98-4,148962-89-4,148962-90-7)

Guidance literature:

With carbon monoxide; palladium diacetate; 1,4-di(diphenylphosphino)-butane; In 1,2-dimethoxyethane; at 150 ℃; for 16h; under 5168 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00065a028

Reference yield:

formic acid (64-18-6) + 1-methyl-2-methylene-cyclopentane (41158-41-2) → (+/-)-(cis-2-methyl-cyclopentyl)-acetic acid (116530-98-4,148962-89-4,148962-90-7) + (trans-2-methylcyclopentyl)acetic acid (116530-98-4,148962-89-4,148962-90-7)

Guidance literature:

With carbon monoxide; palladium diacetate; 1,4-di(diphenylphosphino)-butane; In 1,2-dimethoxyethane; at 150 ℃; for 16h; under 5168 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00065a028

upstream raw materials:

(2-methyl-cyclopentyl)-malonic acid diethyl ester

2-methylcyclopentanol

formic acid

1-methyl-2-methylene-cyclopentane