3-Bromo-3'-methylbenzophenone

Base Information

• Chemical Name: 3-Bromo-3'-methylbenzophenone
• CAS No.: 844879-24-9
• Molecular Formula: C₁₄H₁₁BrO
• Molecular Weight: 275.145
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90373715
• Wikidata: Q82162018
• Mol file: 844879-24-9.mol

Synonyms:3-Bromo-3'-methylbenzophenone;844879-24-9;(3-bromophenyl)-(3-methylphenyl)methanone;(3-bromophenyl)(3-methylphenyl)methanone;SCHEMBL1668717;DTXSID90373715;PTWRTCSPNXUZJZ-UHFFFAOYSA-N;(3-bromophenyl)(m-tolyl)methanone;(3-Bromo-phenyl)-m-tolyl-methanone;MFCD06201457;AKOS010013725

Chemical Property of 3-Bromo-3'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 4.47E-06mmHg at 25°C
• Boiling Point: 383.2°C at 760 mmHg
• Flash Point: 84.6°C
• PSA: 17.07000
• Density: 1.375g/cm³
• LogP: 3.98850
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 273.99933
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-3'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)Br

Technology Process of 3-Bromo-3'-methylbenzophenone

There total 2 articles about 3-Bromo-3'-methylbenzophenone 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: 36.0%

1,3-dibromobenzene (108-36-1) + 3-methyl-N-methoxy-N-methylbenzamide (135754-82-4) → (3-bromophenyl)-m-tolylmethanone (844879-24-9)

Guidance literature:

1,3-dibromobenzene; With iodine; magnesium; In diethyl ether; at 20 - 30 ℃; Inert atmosphere;

3-methyl-N-methoxy-N-methylbenzamide; In diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.12.090

Reference yield:

m-tolylmagnesium bromide (28987-79-3) + N-methoxy-N-methyl-3-bromobenzamide (207681-67-2) → (3-bromophenyl)-m-tolylmethanone (844879-24-9)

Guidance literature:

In tetrahydrofuran; at -78 - 0 ℃; for 2h;

upstream raw materials:

m-tolylmagnesium bromide

N-methoxy-N-methyl-3-bromobenzamide

1,3-dibromobenzene

3-methyl-N-methoxy-N-methylbenzamide

Refernces

• 1、 -. "NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA". Page/Page column 68-69. . Retrieved 2008/06/13.