TRANS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99

Base Information

• Chemical Name: TRANS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99
• CAS No.: 151830-92-1
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.306
• Hs Code.: 2918300090
• Mol file: 151830-92-1.mol

Synonyms:Cyclohexanecarboxylicacid, 2-(4-methylbenzoyl)-, trans-

Chemical Property of TRANS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99

Chemical Property:

• Vapor Pressure: 5.47E-08mmHg at 25°C
• Melting Point: 168 °C
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 425.2°Cat760mmHg
• PKA: 4.34±0.28(Predicted)
• Flash Point: 225.1°C
• PSA: 54.37000
• Density: 1.161g/cm³
• LogP: 3.06870

Purity/Quality:

98%Min ^*data from raw suppliers

Trans-2-(4-methylbenzoyl)cyclohexane-1-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TRANS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99

There total 3 articles about TRANS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99 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: 91.8%

toluene (108-88-3,15644-74-3,16713-13-6) + 1,2-cis-cyclohexanedicarboxylic anhydride (13149-00-3) → cis-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid (151830-92-1)

Guidance literature:

With aluminium trichloride;

Reference yield: 78.0%

p-tolyl triflate (29540-83-8) + 1,2-cis-cyclohexanedicarboxylic anhydride (13149-00-3) → cis-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid (151830-92-1)

Guidance literature:

With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; chloro-trimethyl-silane; zinc(II) iodide; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.8b00114

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) + (+/-)-trans-1,2-cyclohexanedicarboxylic anhydride (14166-21-3) → trans-2-(4-methylbenzoyl)-cyclohexanecarboxylic acid (151830-92-1)

Guidance literature:

With aluminium trichloride;

DOI:10.1007/BF00812708

upstream raw materials:

toluene

(+/-)-trans-1,2-cyclohexanedicarboxylic anhydride

1,2-cis-cyclohexanedicarboxylic anhydride

p-tolyl triflate

Downstream raw materials:

3-(4-methylphenyl)-2-phenyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

2-(4-hydroxyphenyl)-3-(4-methylphenyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

4-[1-(4-methylphenyl)-3-oxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl]benzoic acid

[4-[1-(4-methylphenyl)-3-oxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl]phenyl]acetic acid

Refernces

• 1、 Lin, Tingzhi,Mi, Jianjun,Song, Lichao,Gan, Jiamin,Luo, Pan,Mao, Jianyou,Walsh, Patrick J.. "Nickel-Catalyzed Desymmetrizing Cross-Electrophile Coupling of Cyclic Meso-Anhydrides". supporting information. p. 1191 - 1194. Retrieved 2018/02/22.