2-(bromomethyl)benzoyl Bromide

Base Information

• Chemical Name: 2-(bromomethyl)benzoyl Bromide
• CAS No.: 40819-28-1
• Molecular Formula: C8H6Br2O
• Molecular Weight: 277.943
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40397603
• Wikidata: Q82199094
• Mol file: 40819-28-1.mol

Synonyms:2-(bromomethyl)benzoyl Bromide;40819-28-1;o-bromomethylbenzoyl bromide;Hydrazinemonohydrobromide;SCHEMBL2222912;DTXSID40397603;AKOS015835998;FT-0639673

Chemical Property of 2-(bromomethyl)benzoyl Bromide

Chemical Property:

• Vapor Pressure: 0.00026mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 323.6 °C at 760 mmHg
• Flash Point: 121.7 °C
• PSA: 17.07000
• Density: 1.889 g/cm³
• LogP: 3.11660
• Sensitive.: Lachrymatory
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.87649
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Bromomethyl)benzoyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi

MSDS Files:

Useful:

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

Technology Process of 2-(bromomethyl)benzoyl Bromide

There total 3 articles about 2-(bromomethyl)benzoyl Bromide 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: 46.0%

2-benzofuran-1(3H)-one (87-41-2) → 2-(bromomethyl)benzoyl bromide (40819-28-1)

Guidance literature:

With triphenylphosphine dibromide 1:1 addition complex; at 170 ℃; for 3h;

DOI:10.1002/hlca.19960790816

Reference yield:

ortho-toluoyl chloride (933-88-0) → 2-(bromomethyl)benzoyl bromide (40819-28-1)

Guidance literature:

With bromine; at 185 - 195 ℃;

Reference yield:

bromine (7726-95-6) + ortho-toluoyl chloride (933-88-0) → 2-(bromomethyl)benzoyl bromide (40819-28-1)

Guidance literature:

at 185 - 195 ℃;

upstream raw materials:

ortho-toluoyl chloride

2-benzofuran-1(3H)-one

bromine

Downstream raw materials:

2,2,2a-triphenyl-2,2a-dihydro-4H-benzo[e]azeto[2,1-b][1,3]thiazepine-1,9-dione

2a-dimethylamino-2,2-diphenyl-2,2a-dihydro-4H-azeto[2,1-b]benzo[e][1,3]thiazepine-1,9-dione

(2-methoxymethyl-phenyl)-acetonitrile

2-methoxymethylbenzyl bromide

Refernces

• 1、 Goetschi, Erwin,Jenny, Christian-Johannes,Reindl, Peter,Ricklin, Fabienne. "184. Total synthesis of cyclothialidine". . p. 2219 - 2234. Retrieved 2007/10/03.