2,6-Dimethylbenzoyl chloride

Base Information

• Chemical Name: 2,6-Dimethylbenzoyl chloride
• CAS No.: 21900-37-8
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• Hs Code.: 2916399090
• European Community (EC) Number: 244-646-3
• UNII: WQM56Y8NEQ
• DSSTox Substance ID: DTXSID20176312
• Nikkaji Number: J225.476J
• Wikidata: Q83046645
• Mol file: 21900-37-8.mol

Synonyms:2,6-Dimethylbenzoyl chloride;21900-37-8;Benzoyl chloride, 2,6-dimethyl-;WQM56Y8NEQ;2,6-dimethylbenzoylchloride;2,6-dimethyl-benzoyl chloride;MFCD00052854;Benzoyl chloride,2,6-dimethyl-;UNII-WQM56Y8NEQ;SCHEMBL247778;2, 6-dimethylbenzoyl chloride;2,6 dimethyl benzoyl chloride;2,6-dimethyl benzoyl chloride;DTXSID20176312;WAA90037;EINECS 244-646-3;AC8570;AKOS006275393;FS-4779;2,6-Dimethylbenzoyl chloride, AldrichCPR;SY262919;A925217;J-014336

Chemical Property of 2,6-Dimethylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0693mmHg at 25°C
• Boiling Point: 229.5°Cat760mmHg
• Flash Point: 96.2°C
• PSA: 17.07000
• Density: 1.136g/cm³
• LogP: 2.68240
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Dimethylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethylbenzoyl chloride

There total 4 articles about 2,6-Dimethylbenzoyl 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: 86.0%

2,6-dimethylbenzoic acid (632-46-2) → 2,6-dimethylbenzoyl chloride (21900-37-8)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4020(96)00050-6

Reference yield:

2,6-dimethylaniline (87-62-7) → 2,6-dimethylbenzoyl chloride (21900-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) diazotation

2: thionyl chloride

With thionyl chloride;

DOI:10.1021/jo01307a032

Reference yield:

2,6-dimethylbenzonitrile (6575-13-9) → 2,6-dimethylbenzoyl chloride (21900-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄ / Heating

2: SOCl₂

With thionyl chloride; sulfuric acid;

DOI:10.1002/hlca.19600430115

upstream raw materials:

2,6-dimethylbenzoic acid

2,6-dimethylaniline

2,6-dimethylbenzonitrile

Downstream raw materials:

(4-methoxyphenyl)(2,6-dimethylphenyl)methanone

N-(5⁽³⁾-methylpyrazol-3-⁽⁵⁾-yl)-2,6-dimethylbenzamide

N-(1,5-dimethylpyrazol-3-yl)-2,6-dimethylbenzamide

bis(2,6-dimethylphenyl)glyoxal

Refernces

• 1、 Hill, Jarvis,Crich, David. "Synthesis of O- tert-Butyl- N,N-disubstituted Hydroxylamines by N-O Bond Formation". supporting information. p. 6396 - 6400. Retrieved 2021/08/23.
• 2、 -. "MODIFIED PROTEINS AND PROTEIN DEGRADERS". Paragraph 001674-001675. . Retrieved 2021/12/08.