Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI)
• CAS No.: 240407-05-0
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.241
• Mol file: 240407-05-0.mol

Synonyms:Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI)

Chemical Property of Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI)

Chemical Property:

• PSA: 43.37000
• LogP: 2.16570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI)

There total 3 articles about Benzoic acid, 4-(1-methyl-3-oxopropyl)-, methyl ester (9CI) 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: 91.0%

carbon monoxide (201230-82-2) + 4-(1-methylethenyl)benzoic acid methyl ester (26581-23-7) → methyl (S)-4-(4-oxobutan-2-yl)benzoate (240407-05-0)

Guidance literature:

With (acetylacetonato)dicarbonylrhodium (l); (S,S)-YanPhos; hydrogen; In toluene; at 80 ℃; for 48h; under 3750.38 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/jacs.8b00275

Reference yield: 84.0%

carbon monoxide (201230-82-2) + 4-(1-methylethenyl)benzoic acid methyl ester (26581-23-7) → C12H14O3 (240407-05-0)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; C₃₆H₃₂NO₃P₂^(1-)*Na⁽¹⁺⁾; sodium 4-dodecylbenzenesulfonate; In water; toluene; at 100 ℃; under 22502.3 Torr;

DOI:10.1002/cctc.202101352

Reference yield:

methyl 4-iodobenzoate (619-44-3) + butyraldehyde (123-72-8) → 4-(4-carbomethoxyphenyl)butanal (106200-41-3) + C12H14O3 (240407-05-0)

Guidance literature:

With 5-nitro-3-(trifluoromethyl)pyridin-2-ol; L-tert-Leucine; 1,1,1,3',3',3'-hexafluoro-propanol; palladium diacetate; (2,2,2-trifluoroacetyl)oxysilver; chloroacetic acid; anhydrous silver carbonate; at 110 ℃; for 24h; Overall yield = 62 percent; Kinetics;

DOI:10.1021/jacs.1c13586

upstream raw materials:

carbon monoxide

4-(1-methylethenyl)benzoic acid methyl ester

methyl 4-iodobenzoate

butyraldehyde

Refernces

• 1、 Ru, Tong,Liang, Guanfeng,Zhang, Luyun,Ning, Yingtang,Chen, Fen-Er. "Linear Selective Hydroformylation of 2-Arylpropenes Using Water-Soluble Rh-PNP Complex: Straightforward Access to 3-Aryl-Butyraldehydes". . p. 5073 - 5077. Retrieved 2021/11/09.