2-(1-Methylcyclohexyl)acetic acid

Base Information

• Chemical Name: 2-(1-Methylcyclohexyl)acetic acid
• CAS No.: 14352-58-0
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• European Community (EC) Number: 877-911-2
• Nikkaji Number: J1.639.164F
• Mol file: 14352-58-0.mol

Synonyms:2-(1-methylcyclohexyl)acetic acid;14352-58-0;(1-methylcyclohexyl)acetic acid;MFCD14529334;SCHEMBL178371;1-methyl-cyclohexaneacetic acid;2-(1-methylcyclohexyl)aceticacid;LTBPRPATSZONGJ-UHFFFAOYSA-N;AKOS016344615;LS-11884;SY147390;CS-0223885;EN300-116918;Z1255466882

Chemical Property of 2-(1-Methylcyclohexyl)acetic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

2-(1-methylcyclohexyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCCC1)CC(=O)O
• Uses: 2-(1-Methylcyclohexyl)acetic Acid can be used as a IRE1 modulators to treat IRE1-related diseases.

Technology Process of 2-(1-Methylcyclohexyl)acetic acid

There total 14 articles about 2-(1-Methylcyclohexyl)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: 71.0%

(1-Methylcyclohexyl)cyanessigsaeure-ethylester (57093-55-7) → (1-methylcyclohexyl)acetic acid (14352-58-0)

Guidance literature:

(1-Methylcyclohexyl)cyanessigsaeure-ethylester; With potassium hydroxide; In ethylene glycol; at 180 - 190 ℃; for 10h;

With hydrogenchloride; In water;

at 150 ℃; for 1.5h;

Reference yield: 31.0%

(1-methyl-cyclohexyl)-malonic acid (78775-71-0) → (1-methylcyclohexyl)acetic acid (14352-58-0)

Guidance literature:

In ethanol; at 160 ℃; for 6h;

DOI:10.1016/j.bmcl.2011.06.045

Reference yield:

(1-methyl-cyclohexyl)-acetic acid ethyl ester (592478-50-7) → (1-methylcyclohexyl)acetic acid (14352-58-0)

Guidance literature:

(1-methyl-cyclohexyl)-acetic acid ethyl ester; With sodium hydroxide; water; In ethanol; at 50 ℃; for 3h;

With citric acid; In water;

upstream raw materials:

(1-methyl-cyclohexyl)-malonic acid

1,1-Dichloroethylene

1-Methylcyclohexanol

(1-Methylcyclohexyl)cyanessigsaeure-ethylester

Downstream raw materials:

(1-methyl-cyclohexyl)-acetic acid amide

2-(1-methylcyclohexyl)ethanol

1-diazo-3-(1-methylcyclohexyl)propan-2-one

methyl 4-(1-methyl-1-cyclohexyl)-3-oxobutanoate