4-Bromo-3',5'-dimethylbenzophenone

Base Information

• Chemical Name: 4-Bromo-3',5'-dimethylbenzophenone
• CAS No.: 844879-16-9
• Molecular Formula: C15H13BrO
• Molecular Weight: 289.172
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80373648
• Wikidata: Q82161911
• Mol file: 844879-16-9.mol

Synonyms:4-Bromo-3',5'-dimethylbenzophenone;844879-16-9;(4-Bromophenyl)(3,5-dimethylphenyl)methanone;(4-bromophenyl)-(3,5-dimethylphenyl)methanone;SCHEMBL12812885;DTXSID80373648;MFCD06201451;AKOS009339928;bis(2-hydroxyethyl)methyltetradecylammoniumchloride;(4-Bromo-phenyl)-(3,5-dimethyl-phenyl)-methanone

Chemical Property of 4-Bromo-3',5'-dimethylbenzophenone

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 401.2°C at 760 mmHg
• Flash Point: 74.9°C
• PSA: 17.07000
• Density: 1.336g/cm³
• LogP: 4.29690
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 288.01498
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-3',5'-dimethylbenzophenone 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=C(C=C2)Br)C

Technology Process of 4-Bromo-3',5'-dimethylbenzophenone

There total 1 articles about 4-Bromo-3',5'-dimethylbenzophenone 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:

3,5-dimethylphenyl iodide (22445-41-6) + 4-bromo(thiobenzoic) acid S-(4-chlorophenyl) ester (59383-65-2) → (4-bromophenyl)(3,5-dimethylphenyl)methanone (844879-16-9)

Guidance literature:

3,5-dimethylphenyl iodide; With indium(III) chloride; chloro-trimethyl-silane; aluminium; lithium chloride; In tetrahydrofuran; at 25 - 50 ℃; Inert atmosphere;

With zinc diacetate; In tetrahydrofuran; at 25 ℃; for 0.333333h; Inert atmosphere;

4-bromo(thiobenzoic) acid S-(4-chlorophenyl) ester; With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl) palladium(II) dichloride; In tetrahydrofuran; at 25 ℃; for 1h; chemoselective reaction; Inert atmosphere;

DOI:10.1038/nchem.590

Reference yield: 71.5%

(4-bromophenyl)(3,5-dimethylphenyl)methanone (844879-16-9) + C20H15NO → C35H27NO2

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 24h; Inert atmosphere; Reflux;

Reference yield: 66.5%

(4-bromophenyl)(3,5-dimethylphenyl)methanone (844879-16-9) + 6,6-dimethyl-6,11-dihydro-13-oxa-11-aza-indole[1,2-b]anthracene (1381985-63-2) → C36H29NO2

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 24h; Inert atmosphere; Reflux;

upstream raw materials:

3,5-dimethylphenyl iodide

4-bromo(thiobenzoic) acid S-(4-chlorophenyl) ester

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