3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

Base Information

• Chemical Name: 3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
• CAS No.: 63139-01-5
• Molecular Formula: C₁₈H₂₄O₅
• Molecular Weight: 320.386
• DSSTox Substance ID: DTXSID00542652

Synonyms:63139-01-5;3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid;SCHEMBL11586175;DTXSID00542652

Chemical Property of 3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 320.16237386
• Heavy Atom Count: 23
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC1(C)C(=O)C2=C(C=C(C=C2)OC)OC)C(=O)O)C

Technology Process of 3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

There total 2 articles about 3-(2,4-Dimethoxybenzoyl)-2,2,3-trimethylcyclopentane-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: 11.0%

(+)-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic anhydride (595-31-3) + 1,3-Dimethoxybenzene (151-10-0) → acide (dimethoxy-2'4' benzoyl)-3 trimethyl-1,2,2 cyclopentane carboxylique (93740-40-0) + acide (dimethoxy-2'4' benzoyl)-3 trimethyl-2,2,3 cyclopentane carboxylique (63139-01-5,93740-42-2,104225-21-0)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 2h; Ambient temperature;

Reference yield:

→ 3-(2',4'-dimethoxybenzoyl)-2,2,3-trimethyl cyclopentane carboxylic acid (63139-01-5)

Guidance literature:

Entspr. Methylester;

Reference yield: 8.0%

acide (dimethoxy-2'4' benzoyl)-3 trimethyl-2,2,3 cyclopentane carboxylique (63139-01-5,93740-42-2,104225-21-0) → (hydroxy-α dimethoxy-2,4 benzyl)-1 hydroxy methyl-3 trimethyl-1,2,2 cyclopentane (104225-58-3) + (dimethoxy-2'4' benzyl)-3 trimethyl-2,2,3 cyclopentane carbolactone-1 (α') (93740-46-6)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

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

1,3-Dimethoxybenzene

Downstream raw materials:

(hydroxy-α dimethoxy-2,4 benzyl)-1 hydroxy methyl-3 trimethyl-1,2,2 cyclopentane

(dimethoxy-2'4' benzyl)-3 trimethyl-2,2,3 cyclopentane carbolactone-1 (α')

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