(4-Bromophenyl)(3,4-dimethoxyphenyl)methanone

Base Information

• Chemical Name: (4-Bromophenyl)(3,4-dimethoxyphenyl)methanone
• CAS No.: 116412-90-9
• Molecular Formula: C15H13 Br O3
• Molecular Weight: 321.16592
• Hs Code.: 2914700090
• European Community (EC) Number: 631-431-8
• DSSTox Substance ID: DTXSID00373640
• Nikkaji Number: J2.749.552D
• Wikidata: Q72454791
• Mol file: 116412-90-9.mol

Synonyms:116412-90-9;(4-Bromophenyl)(3,4-dimethoxyphenyl)methanone;(4-bromophenyl)-(3,4-dimethoxyphenyl)methanone;4-BROMO-3',4'-DIMETHOXYBENZOPHENONE;4'-Bromo-3,4-Dimethoxybenzophenone;3,4-Dimethoxy-4'-bromobenzophenone;SCHEMBL1009826;DTXSID00373640;MFCD02127292;AKOS005945519

Chemical Property of (4-Bromophenyl)(3,4-dimethoxyphenyl)methanone

Chemical Property:

• Melting Point: 116-119 °C
• Boiling Point: 426.6±40.0 °C(Predicted)
• Flash Point: 211.8oC
• PSA: 35.53000
• Density: 1.385±0.06 g/cm3(Predicted)
• LogP: 3.69730
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 320.00481
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

99.5% ^*data from raw suppliers

4-Bromo-3',4'-dimethoxybenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Br)OC

Technology Process of (4-Bromophenyl)(3,4-dimethoxyphenyl)methanone

There total 4 articles about (4-Bromophenyl)(3,4-dimethoxyphenyl)methanone 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: 86.0%

1,2-dimethoxybenzene (91-16-7) + Se-phenyl 4-bromoselenobenzoate → (3,4-dimethoxyl phenyl)(4-bromophenyl)methanone (116412-90-9)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

Reference yield:

1,2-dimethoxybenzene (91-16-7) + 4-chlorobenzoyl chloride (586-75-4) → (3,4-dimethoxyl phenyl)(4-bromophenyl)methanone (116412-90-9)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 2h; Reflux;

DOI:10.1039/c4ob00744a

Reference yield:

4-Bromobenzoic acid (586-76-5) → (3,4-dimethoxyl phenyl)(4-bromophenyl)methanone (116412-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Reflux

2: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Reflux

With aluminum (III) chloride; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1039/c4ob00744a

upstream raw materials:

1,2-dimethoxybenzene

4-chlorobenzoyl chloride

4-Bromobenzoic acid

Downstream raw materials:

(3,4-dimethoxyphenyl)(4-bromophenyl)methanone oxime

isopropyl((2S)-1-(((3,4-dimethoxylphenyl)(4-bromophenyl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate

(3,4-dimethoxyphenyl)(4-bromophenyl)methylamine

C₂₀H₂₃NO₃

Refernces

• 1、 Du, Xiu-Jiang,Bian, Qiang,Wang, Hong-Xue,Yu, Shu-Jing,Kou, Jun-Jie,Wang, Zhi-Peng,Li, Zheng-Ming,Zhao, Wei-Guang. "Design, synthesis, and fungicidal activity of novel carboxylic acid amides represented by N-benzhydryl valinamode carbamates". . p. 5427 - 5434. Retrieved 2014/07/21.