Benzoic acid 2,6-diisopropyl-phenyl ester

Base Information

• Chemical Name: Benzoic acid 2,6-diisopropyl-phenyl ester
• CAS No.: 2005-09-6
• Molecular Formula: C19H22O2
• Molecular Weight: 282.382
• Nikkaji Number: J427.325G
• ChEMBL ID: CHEMBL55916
• Mol file: 2005-09-6.mol

Synonyms:Benzoic acid 2,6-diisopropyl-phenyl ester;D09RPY;CHEMBL55916;SCHEMBL8380667;2,6-di-isopropylphenyl benzoate;Benzoic acid 2,6-diisopropylphenyl ester;PD184080

Chemical Property of Benzoic acid 2,6-diisopropyl-phenyl ester

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 282.161979940
• Heavy Atom Count: 21
• Complexity: 313

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid 2,6-diisopropyl-phenyl ester

There total 4 articles about Benzoic acid 2,6-diisopropyl-phenyl 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: 45.0%

2,6-diisopropylphenol (2078-54-8) + benzoyl chloride (98-88-4) → 4-benzoyl-2,6-diisopropylphenol (738-15-8) + 2,6-Diisopropylphenyl benzoate (2005-09-6)

Guidance literature:

With aluminium trichloride; In toluene; at 20 - 30 ℃; for 7h;

DOI:10.1021/jm970681h

Reference yield:

2,6-diisopropylphenol (2078-54-8) + benzoyl chloride (98-88-4) → 2,6-Diisopropylphenyl benzoate (2005-09-6)

Guidance literature:

With triethylamine; In methanol; dichloromethane; water;

Reference yield:

2,6-diisopropylphenol (2078-54-8) + benzoyl chloride (98-88-4) + iso-butanol (78-92-2,15892-23-6) → 2,6-Diisopropylphenyl benzoate (2005-09-6)

Guidance literature:

With triethylamine; In dichloromethane; water;

upstream raw materials:

2,6-diisopropylphenol

benzoyl chloride

iso-butanol

Downstream raw materials:

2,6-diisopropylphenol

benzoic acid methyl ester

(4-allylhepta-1,6-dien-4-yl) benzene