4-(bromomethyl)benzoyl Chloride

Base Information

• Chemical Name: 4-(bromomethyl)benzoyl Chloride
• CAS No.: 52780-16-2
• Molecular Formula: C8H6 Br Cl O
• Molecular Weight: 233.492
• Hs Code.: 2916399090
• European Community (EC) Number: 684-280-5
• DSSTox Substance ID: DTXSID00407999
• Nikkaji Number: J1.655.275E
• Wikidata: Q72446850
• Mol file: 52780-16-2.mol

Synonyms:4-(bromomethyl)benzoyl Chloride;52780-16-2;4-Bromomethyl benzoyl chloride;4-bromomethylbenzoyl chloride;4-bromomethyl benzoylchloride;4-(bromomethyl)-1-benzenecarbonyl chloride;p-bromomethylbenzoyl chloride;p-bromomethyl benzoyl chloride;SCHEMBL526411;4-bromomethyl-benzoyl chloride;alpha-bromo-p-toluoyl chloride;DTXSID00407999;4-bromomethylbenzoic acid chloride;OPOIIZVRMQZRJP-UHFFFAOYSA-N;4-(Bromomethyl)benzoic acid chloride;AKOS016035573

Chemical Property of 4-(bromomethyl)benzoyl Chloride

Chemical Property:

• Melting Point: 33-34 °C
• Boiling Point: 145-150 °C(Press: 2 Torr)
• PSA: 17.07000
• Density: 1.606±0.06 g/cm3(Predicted)
• LogP: 2.96050
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

4-BROMOMETHYL-BENZOYL CHLORIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)C(=O)Cl

Technology Process of 4-(bromomethyl)benzoyl Chloride

There total 7 articles about 4-(bromomethyl)benzoyl 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: 100.0%

4-bromomethylbenzoic Acid (6232-88-8) → 4-bromomethylbenzoyl chloride (52780-16-2)

Guidance literature:

With thionyl chloride; In toluene; for 5 - 6h; Heating / reflux;

Reference yield: 72.0%

4-methyl-benzoyl chloride (874-60-2) → 4-bromomethylbenzoyl chloride (52780-16-2)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 3h; Heating / reflux;

Reference yield: 68.0%

p-Toluic acid (99-94-5) → 4-bromomethylbenzoyl chloride (52780-16-2)

Guidance literature:

p-Toluic acid; With bromine; In tetrachloromethane; for 1.5h; Inert atmosphere; Irradiation; Reflux;

With thionyl chloride; In tetrachloromethane; for 2h; Inert atmosphere; Reflux;

DOI:10.1002/anie.200901206

upstream raw materials:

4-bromomethylbenzoic Acid

4-methyl-benzoyl chloride

bromine

oxalyl dichloride

Downstream raw materials:

4-bromomethylbenzoic Acid

Methyl 4-(bromomethyl)benzoate

p-bromomethylbenzoyl hydrazide

rac-2-(t-Butyl)-3-<4-<(dipropylamino)methyl>benzoyl>-1,3-oxazolidin-5-on

Refernces

• 1、 Amitai, Gabriel,Gez, Rellie,Raveh, Lily,Bar-Ner, Nira,Grauer, Ettie,Chapman, Shira. "Novel bifunctional hybrid small molecule scavengers for mitigating nerve agents toxicity". . p. 187 - 204. Retrieved 2016.
• 2、 Nozal, Vanesa,García-Rubia, Alfonso,Cuevas, Eva P.,Pérez, Concepción,Tosat-Bitrián, Carlota,Bartolomé, Fernando,Carro, Eva,Ramírez, David,Palomo, Valle,Martínez, Ana. "From Kinase Inhibitors to Multitarget Ligands as Powerful Drug Leads for Alzheimer's Disease using Protein-Templated Synthesis". supporting information. p. 19344 - 19354. Retrieved 2021/07/28.
• 3、 -. "Revefenacin intermediate, preparation method thereof and preparation method of revefenacin". Paragraph 0049; 0051. . Retrieved 2019/12/25.