Benzoyl bromide, 2,4,6-trimethyl-

Base Information

• Chemical Name: Benzoyl bromide, 2,4,6-trimethyl-
• CAS No.: 67958-02-5
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• DSSTox Substance ID: DTXSID90453061
• Nikkaji Number: J1.043.110G
• Wikidata: Q82274043
• Mol file: 67958-02-5.mol

Synonyms:Benzoyl bromide, 2,4,6-trimethyl-;mesitoyl bromide;67958-02-5;DTXSID90453061;2,4,6-Trimethylbenzoic acid bromide

Chemical Property of Benzoyl bromide, 2,4,6-trimethyl-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzoyl bromide, 2,4,6-trimethyl-

There total 5 articles about Benzoyl bromide, 2,4,6-trimethyl- 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: 73.0%

S-2-pyridyl 2,4,6-trimethylbenzothioate (81787-27-1) → Mesitoyl bromide (67958-02-5)

Guidance literature:

With copper(ll) bromide; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo00184a009

Reference yield:

2,4,6-trimethylbenzoyl radical (67992-95-4) → Mesitoyl bromide (67958-02-5)

Guidance literature:

With Bromotrichloromethane; In n-heptane; at 23 ℃; Rate constant; other quenchers; var. solvents;

DOI:10.1021/ja00123a018

Reference yield:

C16H26O2Si (105040-97-9) + dibromotriphenylphosphorane (1034-39-5) → Mesitoyl bromide (67958-02-5)

Guidance literature:

In dichloromethane; Ambient temperature;

DOI:10.1021/jo00375a034

upstream raw materials:

mesitylenecarboxylic acid

S-2-pyridyl 2,4,6-trimethylbenzothioate

C₁₆H₂₆O₂Si

dibromotriphenylphosphorane

Downstream raw materials:

2,4,6-Trimethyl-benzoic acid (E)-3-bromo-propenyl ester

tert-butyl 2,4,6-trimethylbenzoate

Refernces

• 1、 Nagasawa, Kazuo,Ohhashi, Keiko,Yamashita, Asami,Ito, Keiichi. "Activated Basic Alumina Promotes a Mild, Clean and High-Yield Racemization-Free Synthesis of t-Butyl Esters from Chiral Acid Bromides and t-Butyl Alcohol". . p. 209 - 212. Retrieved 2007/10/02.
• 2、 Kim, Sunggak,Lee, Jae In. "Copper Ion Promoted Esterification of S-2-Pyridyl Thioates and 2-Pyridyl Esters. Efficient Methods for the Preparation of Hindered Esters". . p. 1712 - 1716. Retrieved 2007/10/02.