3-(Bromomethyl)benzophenone

Base Information

• Chemical Name: 3-(Bromomethyl)benzophenone
• CAS No.: 22071-24-5
• Molecular Formula: C14H11BrO
• Molecular Weight: 275.145
• Hs Code.: 2914790090
• European Community (EC) Number: 244-761-9
• DSSTox Substance ID: DTXSID70176564
• Nikkaji Number: J23.046D
• Wikidata: Q72440218
• Mol file: 22071-24-5.mol

Synonyms:22071-24-5;3-Benzoylbenzyl bromide;3-(Bromomethyl)benzophenone;3-Bromomethylbenzophenone;(3-(Bromomethyl)phenyl)(phenyl)methanone;[3-(bromomethyl)phenyl]-phenylmethanone;3-BENZOYLBENZYLBROMIDE;[3-(bromomethyl)phenyl](phenyl)methanone;Methanone, [3-(bromomethyl)phenyl]phenyl-;m-phenylcarbonylbenzyl bromide;3-bromomethyl-benzophenone;(3-BROMOMETHYL-PHENYL)-PHENYL-METHANONE;m-(Bromomethyl)benzophenone;SCHEMBL435297;DTXSID70176564;EINECS 244-761-9;CK2020;MFCD00044727;AKOS015839089;[3-(Bromomethyl)phenyl]phenylmethanone;4-TERT-BUTYL-2-NITRO-BENZOICACID;BS-27741;[3-(Bromomethyl) phenyl](phenyl)methanone;FT-0638182;A815898;J-014467

Chemical Property of 3-(Bromomethyl)benzophenone

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 4.51E-06mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.614
• Boiling Point: 383.077 °C at 760 mmHg
• Flash Point: 84.465 °C
• Density: 1.396 g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 273.99933
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99.5% ^*data from raw suppliers

3-BenzoylbenzylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CBr

Technology Process of 3-(Bromomethyl)benzophenone

There total 6 articles about 3-(Bromomethyl)benzophenone 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: 77.0%

3-methyl benzophenone (643-65-2) → 3-benzoylbenzyl bromide (22071-24-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 75 ℃; for 6.5h;

Reference yield:

3-methyl benzophenone (643-65-2) → ethyl m-benzoyl benzyl malonate + 3-benzoylbenzyl bromide (22071-24-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

Reference yield:

3-Methylbenzoyl chloride (1711-06-4) → 3-benzoylbenzyl bromide (22071-24-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.4 g / AlCl₃ / 20 °C

2: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 5 h / Heating

With N-Bromosuccinimide; aluminium trichloride; dibenzoyl peroxide; In tetrachloromethane; 1: Friedel-Craft acylation;

DOI:10.1021/jm0702938

upstream raw materials:

3-methyl benzophenone

3-Methylbenzoyl chloride

benzene

m-Toluic acid

Downstream raw materials:

3-benzoylphenyl-[1-13C]-ethanenitrile

(E)-4-(3'-benzoylbenzyloxy)-1-[(tetrahydro-2H-pyran-2-yl)oxy]-3-methyl-2-butene

diethyl (m-benzoylbenzyl)phosphonate

C₅₄H₈₉NO₁₁

Refernces

• 1、 Fung, Sin Ki,Zou, Taotao,Cao, Bei,Lee, Pui-Yan,Fung, Yi Man Eva,Hu, Di,Lok, Chun-Nam,Che, Chi-Ming. "Cyclometalated Gold(III) Complexes Containing N-Heterocyclic Carbene Ligands Engage Multiple Anti-Cancer Molecular Targets". . p. 3892 - 3896. Retrieved 2017.
• 2、 -. "SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1". Page/Page column 839. . Retrieved 2018/01/20.