Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Base Information

• Chemical Name: Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
• CAS No.: 1313395-29-7
• Molecular Formula: C19H28O2
• Molecular Weight: 288.4
• DSSTox Substance ID: DTXSID801131713
• Mol file: 1313395-29-7.mol

Synonyms:DTXSID801131713;Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester;1313395-29-7

Chemical Property of Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 288.208930132
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(C(C1)OC(=O)C2=C(C=CC(=C2)C)C)C(C)C
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C=CC(=C2)C)C)C(C)C

Technology Process of Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

There total 1 articles about Benzoic acid, 2,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester 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:

(-)-menthol (2216-51-5) + 2,5-dimethylbenzoyl chloride (22328-43-4) → (-)-menthyl 2,5-dimethylbenzoate (1313395-29-7)

Guidance literature:

With pyridine;

DOI:10.1021/ja203781f

upstream raw materials:

(-)-menthol

2,5-dimethylbenzoyl chloride