1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-1-carboxylic acid

Base Information

• Chemical Name: 1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-1-carboxylic acid
• CAS No.: 61469-01-0
• Molecular Formula: C₁₇H₂₂O₃
• Molecular Weight: 274.36
• DSSTox Substance ID: DTXSID60497412

Synonyms:61469-01-0;1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-1-carboxylic acid;DTXSID60497412

Chemical Property of 1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-1-carboxylic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 274.15689456
• Heavy Atom Count: 20
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2CCC(C2(C)C)(C)C(=O)O

Technology Process of 1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-1-carboxylic acid

There total 3 articles about 1,2,2-Trimethyl-3-(4-methylbenzoyl)cyclopentane-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: 50.0%

toluene (108-88-3,15644-74-3,16713-13-6) + (+)-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic anhydride (595-31-3) → (1R,3R,4R)-2,2,3-Trimethyl-4-p-tolyl-cyclopentanecarboxylic acid (55731-75-4) + acide (-)tolyl-3 trimethyl-1,2,2 cyclopentane carboxylique (61469-01-0,107736-10-7,115969-40-9)

Guidance literature:

aluminium trichloride; In 1,2-dichloro-ethane; 1.) 0.5 h, 0 deg C; 2.) room temp., 15 h;

Reference yield: 33.0%

(±)-camphoric acid anhydride (76-32-4) + toluene (108-88-3,15644-74-3,16713-13-6) → (1R,3R,4R)-2,2,3-Trimethyl-4-p-tolyl-cyclopentanecarboxylic acid (55731-75-4) + (1S,3R)-1,2,2-Trimethyl-3-(4-methyl-benzoyl)-cyclopentanecarboxylic acid (61469-01-0,107736-10-7,115969-40-9)

Guidance literature:

aluminium trichloride; In 1,2-dichloro-ethane; 1.) 0.5 h, 0 deg C; 2.) room temp., 15 h;

Reference yield:

→ 1,2,2-Trimethyl-3-(4-methyl-benzoyl)-cyclopentanecarboxylic acid (61469-01-0)

Guidance literature:

Camphersaeureanhydrid, Toluol, AlCl3;

upstream raw materials:

(±)-camphoric acid anhydride

toluene

(+)-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic anhydride

Downstream raw materials:

(1S,3R)-1,2,2-Trimethyl-3-(4-methyl-benzoyl)-cyclopentanecarboxylic acid methyl ester

(1S,3R)-3-{[(E)-Hydroxyimino]-p-tolyl-methyl}-1,2,2-trimethyl-cyclopentanecarboxylic acid methyl ester

(1R,6S)-1,9,9-Trimethyl-5-p-tolyl-3-oxa-4-aza-bicyclo[4.2.1]nonane; hydrochloride

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