3-Methylcyclopentane-1-carboxylic acid

Base Information

• Chemical Name: 3-Methylcyclopentane-1-carboxylic acid
• CAS No.: 24070-68-6
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.171
• European Community (EC) Number: 824-142-5
• Mol file: 24070-68-6.mol

Synonyms:3-methylcyclopentane-1-carboxylic acid;24070-68-6;3-methylcyclopentanecarboxylic acid;Cyclopentanecarboxylic acid, 3-methyl- (7CI,8CI,9CI);MFCD19227918;SCHEMBL835908;3-methylcyclopentane carboxylic;3-methylcyclopentanecarboxylicacid;LHJUMZACQNBHRC-UHFFFAOYSA-N;3-methylcyclopentane-carboxylic acid;AKOS006381606;AS-39748;SY191885;CS-0217541;EN300-76648;Z1190318311

Chemical Property of 3-Methylcyclopentane-1-carboxylic acid

Chemical Property:

• Melting Point: 144 °C
• Boiling Point: 92-94 °C(Press: 7-8 Torr)
• PKA: 4.81±0.40(Predicted)
• PSA: 37.30000
• Density: 1.059±0.06 g/cm3(Predicted)
• LogP: 1.50720
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

3-Methylcyclopentane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C1)C(=O)O

Technology Process of 3-Methylcyclopentane-1-carboxylic acid

There total 4 articles about 3-Methylcyclopentane-1-carboxylic 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: 4.0%

(+/-)-cyclopent-2-enecarboxylic acid (67886-24-2,67886-30-0,77983-99-4,2348-89-2) + methyl iodide (74-88-4) → 3-cyclopentene-1-carboxylic acid (7686-77-3) + cis-3-methylcyclopentanecarboxylic acid (6240-43-3,6240-44-4,24070-68-6) + acide methyl-2 cyclopentanecarboxylique-1 cis (4541-43-9,5454-78-4,18335-62-1,97276-84-1,109716-77-0,109716-78-1,134877-06-8)

Guidance literature:

With pyridine; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; sulfuric acid; Yield given. Multistep reaction; 1) THF, room temperature, 24 h, 2) THF, room temperature, 24 h;

DOI:10.1055/s-1991-26475

Reference yield:

2-chloro-5-methyl-cyclohexanone (89616-30-8,38043-89-9) → cis-3-methylcyclopentanecarboxylic acid (6240-43-3,6240-44-4,24070-68-6) + optically inactive 1,2-epoxy-1-methoxy-5-methyl-cyclohexane (855383-78-7)

Guidance literature:

With sodium methylate;

Reference yield:

2-chloro-5-methyl-cyclohexanone (89616-30-8,38043-89-9) + sodium methylate (124-41-4) → 3-methylcyclopentanecarboxylic acid (24070-68-6) + optically inactive 1,2-epoxy-1-methoxy-5-methyl-cyclohexane (855383-78-7)

Guidance literature:

With methanol;

upstream raw materials:

2-chloro-5-methyl-cyclohexanone

sodium methylate

4-methyl-2-chlorocyclohexanone

(+/-)-cyclopent-2-enecarboxylic acid

Downstream raw materials:

1-(3-methylcyclopentyl)ethanone

methyl trans-2-methylcyclopentanecarboxylate

trans-3-methylcyclopentanecarboxylate

cis-3-methylcyclopentanecarboxylate