1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-1-carboxylic acid

Base Information

• Chemical Name: 1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-1-carboxylic acid
• CAS No.: 62664-72-6
• Molecular Formula: C19H26O3
• Molecular Weight: 302.414
• DSSTox Substance ID: DTXSID40488666
• Mol file: 62664-72-6.mol

Synonyms:62664-72-6;1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-1-carboxylic acid;DTXSID40488666

Chemical Property of 1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-1-carboxylic acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 302.18819469
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCCC1(CC(=O)C2=CC=C(C=C2)C)C(=O)O

Technology Process of 1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-1-carboxylic acid

There total 1 articles about 1-[2-(4-Methylphenyl)-2-oxoethyl]-2-propylcyclohexane-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:

6-propyl-2-oxa-spiro[4.5]decane-1,3-dione (62664-68-0) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-(2-Oxo-2-p-tolyl-ethyl)-2-propyl-cyclohexanecarboxylic acid (62664-72-6)

Guidance literature:

With aluminium trichloride;

DOI:10.1016/0040-4020(76)80114-7

Reference yield:

1-(2-Oxo-2-p-tolyl-ethyl)-2-propyl-cyclohexanecarboxylic acid (62664-72-6) → 3-methylphenathrene (832-71-3)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂, HClO₄ / Pd-C / acetic acid

2: (i) SOCl₂, (ii) AlCl₃

3: LiAlH₄

4: Pd-C / 360 - 380 °C

With lithium aluminium tetrahydride; perchloric acid; hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1016/0040-4020(76)80114-7

Reference yield:

1-(2-Oxo-2-p-tolyl-ethyl)-2-propyl-cyclohexanecarboxylic acid (62664-72-6) → 2-Propyl-1-(2-p-tolyl-ethyl)-cyclohexanecarboxylic acid (62705-20-8)

Guidance literature:

With perchloric acid; hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1016/0040-4020(76)80114-7

upstream raw materials:

6-propyl-2-oxa-spiro[4.5]decane-1,3-dione

toluene

Downstream raw materials:

2-Propyl-1-(2-p-tolyl-ethyl)-cyclohexanecarboxylic acid

3-methylphenathrene