Mesitylglyoxylic acid

Base Information

• Chemical Name: Mesitylglyoxylic acid
• CAS No.: 3112-46-7
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30397511
• Nikkaji Number: J1.445.654F
• Mol file: 3112-46-7.mol

Synonyms:MESITYLGLYOXYLIC ACID;3112-46-7;2-Mesityl-2-oxoacetic acid;2-oxo-2-(2,4,6-trimethylphenyl)acetic Acid;2,4,6-Trimethylbenzoylformic acid;Mesitylglyoxylsaure;n-Butyl-(4-bromo)phenylether;SCHEMBL4593011;DTXSID30397511;Mesitylglyoxylic acid, AldrichCPR;IRSQOXNQMAUSTG-UHFFFAOYSA-N;MFCD00151834;AKOS009156463;BS-22295;CS-0197137;FT-0628237;E73920;EN300-1856137;A876026

Chemical Property of Mesitylglyoxylic acid

Chemical Property:

• Vapor Pressure: 3.47E-05mmHg at 25°C
• Melting Point: 123-124°C
• Refractive Index: 1.549
• Boiling Point: 339.9°Cat760mmHg
• PKA: 2.23±0.54(Predicted)
• Flash Point: 173.5°C
• PSA: 54.37000
• Density: 1.169g/cm³
• LogP: 1.87910
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

2-Mesityl-2-oxoaceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)C(=O)O)C

Technology Process of Mesitylglyoxylic acid

There total 15 articles about Mesitylglyoxylic 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: 40.0%

→ mesitylglyoxylic acid (3112-46-7)

Guidance literature:

Reference yield: 39.0%

5-hydroxy-5-(2,4,6-trimethylphenyl)-N,N'-diphenylimidazolidine-2,4-dione (1352131-41-9) → 2-oxo-N-phenyl-2-(2,4,6-trimethylphenyl)acetamide (1267021-88-4) + mesitylglyoxylic acid (3112-46-7)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 - 50 ℃; for 1h;

DOI:10.1021/jo202304x

Reference yield:

2-hydroxy-1.1-diphenyl-3-(2.4.6-trimethyl-phenyl)-propen-(1)-one-(3) (873377-42-5) → benzophenone (119-61-9) + mesitylenecarboxylic acid (480-63-7) + mesitylglyoxylic acid (3112-46-7)

Guidance literature:

DOI:10.1021/ja01284a035

upstream raw materials:

2,4,6-Trimethylacetophenone

4-[(2,4,6-trimethyl-phenyl)-oxo-thioacetyl]-morpholine

Dimethyl oxalate

2-mesitylmagnesium bromide

Downstream raw materials:

mesytaldehyde

mesitylenecarboxylic acid

cyanomesitylene

2,4,6-trimethylmandelic acid

Refernces

• 1、 Pimpasri, Chaleena,Sumunnee, Ladawan,Yotphan, Sirilata. "Copper-catalyzed oxidative decarboxylative coupling of α-keto acids and sulfoximines". supporting information. p. 4320 - 4327. Retrieved 2017/07/10.
• 2、 Yang, Zhiyong,Chen, Xiang,Liu, Jidan,Gui, Qingwen,Xie, Kai,Li, Miaomiao,Tan, Ze. "Pd-catalyzed decarboxylative ortho-acylation of O-methyl oximes with phenylglyoxylic acids". supporting information. p. 1560 - 1562. Retrieved 2013/03/13.