2,4,6-Trimethylbenzoyl chloride

Base Information

• Chemical Name: 2,4,6-Trimethylbenzoyl chloride
• CAS No.: 938-18-1
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 29163990
• European Community (EC) Number: 213-339-6
• NSC Number: 97606
• UNII: 9GTX8DB3BP
• DSSTox Substance ID: DTXSID20239653
• Nikkaji Number: J298.532B
• Wikidata: Q72513953
• Mol file: 938-18-1.mol

Synonyms:mesitoyl chloride

Chemical Property of 2,4,6-Trimethylbenzoyl chloride

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.528-1.53
• Boiling Point: 259.7 °C at 760 mmHg
• Flash Point: 113.7 °C
• PSA: 17.07000
• Density: 1.109 g/cm³
• LogP: 2.99080
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts slowly with water.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98% ^*data from raw suppliers

2,4,6-Trimethylbenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)Cl)C
• Uses: 2,4,6-Trimethylbenzoyl chloride is used, in the presence of pyridine, to protect OH groups as mesitoate esters.

Technology Process of 2,4,6-Trimethylbenzoyl chloride

There total 24 articles about 2,4,6-Trimethylbenzoyl chloride 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: 99.3%

TMBT; TMBC; mixture of → mesitylene-2-carboxylic acid chloride (938-18-1)

Guidance literature:

With iron(III) chloride; chloroacetic acid; at 70 ℃; for 3h;

Reference yield: 95.8%

TMBT; TMBC; mixture of → mesitylene-2-carboxylic acid chloride (938-18-1)

Guidance literature:

With iron(III) chloride; water; at 60 ℃; for 2.48333h;

Reference yield: 94.3%

mesitylenecarboxylic acid (480-63-7) + (trichloromethyl)mesitylene (707-74-4) → mesitylene-2-carboxylic acid chloride (938-18-1)

Guidance literature:

With iron(III) chloride; at 65 ℃; for 5h; under 15001.5 Torr; Temperature;

upstream raw materials:

mesitylenecarboxylic acid

2-mesitylmagnesium bromide

tetrachloromethane

1,3,5-trimethyl-benzene

Downstream raw materials:

4-(2,4,6-trimethyl-benzoyl)-morpholine

(2,5-diphenyl-[3]furyl)-mesityl ketone

2,4,6-trimethyl-benzoic acid-(2-acetyl-phenyl ester)

2,4,6-trimethyl-benzoic acid ethylamide

Refernces

• 1、 Chen, Xingyu,Liu, Xiaoyan,Zhu, Hong,Wang, Zhiqian. "Palladium-catalyzed C–P bond activation of aroyl phosphine oxides without the adjacent “anchoring atom”". . . Retrieved 2021/01/14.
• 2、 Wu, Xiaofang,Zhou, Lei,Li, Fangshao,Xiao, Jing. "PCl3-mediated transesterification and aminolysis of tert-butyl esters via acid chloride formation". . p. 491 - 497. Retrieved 2021/01/20.