4-Methylcyclohexane-1,1-dicarboxylic acid

Base Information

• Chemical Name: 4-Methylcyclohexane-1,1-dicarboxylic acid
• CAS No.: 54286-13-4
• Molecular Formula: C₉H₁₄O₄
• Molecular Weight: 186.208
• DSSTox Substance ID: DTXSID40593507
• Wikidata: Q82488004
• Mol file: 54286-13-4.mol

Synonyms:4-Methylcyclohexane-1,1-dicarboxylic acid;54286-13-4;SCHEMBL3420703;DTXSID40593507

Chemical Property of 4-Methylcyclohexane-1,1-dicarboxylic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(CC1)(C(=O)O)C(=O)O

Technology Process of 4-Methylcyclohexane-1,1-dicarboxylic acid

There total 5 articles about 4-Methylcyclohexane-1,1-dicarboxylic 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:

3-methyl-1,5-dibromopentane (4457-72-1) + diethyl malonate (105-53-3) → 4-methyl-cyclohexane-1,1-dicarboxylic acid (54286-13-4)

Guidance literature:

DOI:10.1021/ja01638a004

Reference yield:

→ 4-methyl-cyclohexane-1,1-dicarboxylic acid (54286-13-4)

Guidance literature:

With potassium permanganate;

DOI:10.1007/s12122-002-1000-z DOI:10.1007/BF02504927

Reference yield:

→ 4-methyl-cyclohexane-1,1-dicarboxylic acid (54286-13-4)

Guidance literature:

With potassium permanganate;

DOI:10.1007/s12122-002-1000-z DOI:10.1007/BF02504927

upstream raw materials:

Diethyl 4-Methylcyclohexane-1,1-dicarboxylate

3-methyl-1,5-dibromopentane

diethyl malonate

4-methylcyclohex-3-ene-1,1-dicarboxylic acid diethyl ester