4-methylbenzoylformic acid

Base Information

• Chemical Name: 4-methylbenzoylformic acid
• CAS No.: 7163-50-0
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2918300090
• Mol file: 7163-50-0.mol

Synonyms:Glyoxylicacid, p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)(oxo)acetic acid;2-(4-Methylphenyl)-2-oxoacetic acid;4-Methylbenzoylformic acid;4-Methylphenylglyoxylic acid;p-Methylbenzoylformic acid;p-Tolylglyoxylic acid;(4-Methylphenyl)(oxo)acetic acid;benzeneacetic acid, 4-methyl-α-oxo-;

Chemical Property of 4-methylbenzoylformic acid

Chemical Property:

• Vapor Pressure: 0.000945mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 290.6 °C at 760 mmHg
• PKA: 2.22±0.54(Predicted)
• Flash Point: 143.8 °C
• PSA: 54.37000
• Density: 1.244 g/cm³
• LogP: 1.26230
• Storage Temp.: 2-8°C

Purity/Quality:

97% purity ^*data from raw suppliers

2-Oxo-2-(p-tolyl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-methylbenzoylformic acid

There total 43 articles about 4-methylbenzoylformic 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: 96.0%

ethyl 2-p-tolyl-2-oxoacetate (5524-56-1) → (4-methylphenyl)(oxo)acetic acid (7163-50-0)

Guidance literature:

With water; sodium hydroxide; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1039/d1cc02003j

Reference yield: 95.5%

p-methyl-2-(hydroxyimino)-2-phenylacetonitrile (78370-23-7) → (4-methylphenyl)(oxo)acetic acid (7163-50-0)

Guidance literature:

With sulfuric acid; at 100 - 120 ℃; for 6h;

Reference yield: 88.0%

1-(4-methylphenyl)-2-nitroethanol (28691-43-2) → (4-methylphenyl)(oxo)acetic acid (7163-50-0)

Guidance literature:

With copper diacetate; In methanol; water; acetic acid; for 4h; Heating;

DOI:10.1016/S0040-4039(99)02179-6

upstream raw materials:

1,3-diphenyl-5-p-tolyl-pent-2-ene-1,5-dione

para-methylacetophenone

4-(bromoacetyl)toluene

ethyl 2-p-tolyl-2-oxoacetate

Downstream raw materials:

ethyl 2-p-tolyl-2-oxoacetate

4-tolylacetic acid

terephthalic acid

p-Toluic acid

Refernces

• 1、 Huang, Junjie,Liang, Baihui,Chen, Xiuwen,Liu, Yifu,Li, Yawen,Liang, Jingwen,Zhu, Weidong,Tang, Xiaodong,Li, Yibiao,Zhu, Zhongzhi. "Rapid assembly of α-ketoamides through a decarboxylative strategy of isocyanates with α-oxocarboxylic acids under mild conditions". supporting information. p. 4783 - 4787. Retrieved 2021/06/11.
• 2、 Long, Lipeng,Wang, Jieyan,Gu, Liuqing,Yang, Shiguang,Qiao, Liang,Luo, Guotian,Chen, Zhengwang. "Hypervalent Iodine(III)-Promoted Radical Oxidative C-H Annulation of Arylamines with α-Keto Acids". supporting information. p. 12084 - 12092. Retrieved 2021/08/24.