2,3,5,6-Tetramethylbenzoyl chloride

Base Information

• Chemical Name: 2,3,5,6-Tetramethylbenzoyl chloride
• CAS No.: 67075-69-8
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• DSSTox Substance ID: DTXSID40495274
• Wikidata: Q82343268
• Mol file: 67075-69-8.mol

Synonyms:2,3,5,6-Tetramethylbenzoyl chloride;67075-69-8;BENZOYLCHLORIDE,2,3,5,6-TETRAMETHYL-;SCHEMBL1312119;DTXSID40495274

Chemical Property of 2,3,5,6-Tetramethylbenzoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.29920
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2,3,5,6-TetramethylbenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C(=O)Cl)C)C

Technology Process of 2,3,5,6-Tetramethylbenzoyl chloride

There total 2 articles about 2,3,5,6-Tetramethylbenzoyl 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:

2,3,5,6-tetramethylbenzoic acid (2604-45-7) → 2,3,5,6-Tetramethylbenzoyl chloride (67075-69-8)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01851a004

Reference yield:

bromodurene (1646-53-3) → 2,3,5,6-Tetramethylbenzoyl chloride (67075-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium; diethyl ether; benzene / Einleiten von Kohlendioxid in die Reaktionsloesung

2: thionyl chloride

With thionyl chloride; diethyl ether; magnesium; benzene;

DOI:10.1021/ja01851a004

Reference yield: 100.0%

2,3,5,6-Tetramethylbenzoyl chloride (67075-69-8) + methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate hydrochloride → methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoate

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

2,3,5,6-tetramethylbenzoic acid

bromodurene

Downstream raw materials:

2,3,5,6-tetramethyl-benzoic acid p-tolyl ester

3-benzoyldurene

2,3,4,6,2',3',5',6'-octamethyl-benzophenone

bis(2,3,5,6-tetramethylphenyl)methanone