2,4,5-Trimethylbenzoyl chloride

Base Information

• Chemical Name: 2,4,5-Trimethylbenzoyl chloride
• CAS No.: 34824-32-3
• Molecular Formula: C10H11 Cl O
• Molecular Weight: 182.64674
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00499273
• Wikidata: Q82349905
• Mol file: 34824-32-3.mol

Synonyms:2,4,5-Trimethylbenzoyl chloride;34824-32-3;SCHEMBL1313097;DTXSID00499273

Chemical Property of 2,4,5-Trimethylbenzoyl chloride

Chemical Property:

• Boiling Point: 274.1±9.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 2.99080
• 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: 179

Purity/Quality:

99%min. ^*data from raw suppliers

2,4,5-Trimethylbenzoylchloride 95% ^*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

Technology Process of 2,4,5-Trimethylbenzoyl chloride

There total 1 articles about 2,4,5-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:

2,4,5-trimethylbenzoic acid (528-90-5) → 2,4,6-trimethylbenzoyl chloride (34824-32-3)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4020(01)91758-2

Reference yield: 95.0%

2,4,6-trimethylbenzoyl chloride (34824-32-3) → 2,4,5-trimethylbenzohydroxamic acid (114056-73-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In diethyl ether; water;

DOI:10.1007/BF00475373

Reference yield:

2,4,6-trimethylbenzoyl chloride (34824-32-3) → (3-Hydroxy-isoxazolidin-2-yl)-(2,4,5-trimethyl-phenyl)-methanone (114056-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NH₂OH*HCl, Na₂CO₃ / diethyl ether; H₂O

2: 80 percent / triethylaminoethylcellulose / methanol / 0 °C / 2 weeks

With hydroxylamine hydrochloride; sodium carbonate; triethylaminoethylcellulose; In methanol; diethyl ether; water;

DOI:10.1007/BF00475373

upstream raw materials:

2,4,5-trimethylbenzoic acid

Downstream raw materials:

pyren-1-yl-(2,4,5-trimethyl-phenyl)-ketone

2,4,5-trimethyl-benzoic acid-(2-dimethylamino-ethylamide)

9-(2,4,5-Trimethyl-benzoyl)-phenanthren

N-cycloheptyl-2,4,6-trimethylbenzamide

Refernces

• 1、 Lehmann, Fredrik,Currier, Erika A.,Olsson, Roger,Hacksell, Uli,Luthman, Kristina. "Isochromanone-based urotensin-II receptor agonists". . p. 3057 - 3068. Retrieved 2007/10/03.