4-Bromo-4'-methoxybenzophenone

Base Information

• Chemical Name: 4-Bromo-4'-methoxybenzophenone
• CAS No.: 54118-75-1
• Molecular Formula: C10H10N2O2
• Molecular Weight: 291.144
• Hs Code.: 2914700090
• European Community (EC) Number: 675-400-7
• DSSTox Substance ID: DTXSID80355227
• Nikkaji Number: J908.055D
• Wikidata: Q82133986
• ChEMBL ID: CHEMBL1326786
• Mol file: 54118-75-1.mol

Synonyms:4-Bromo-4'-methoxybenzophenone;54118-75-1;(4-bromophenyl)(4-methoxyphenyl)methanone;(4-bromophenyl)-(4-methoxyphenyl)methanone;Cambridge id 5314129;MLS000576849;SCHEMBL1010096;CHEMBL1326786;DTXSID80355227;VFMPCNWWYIQPCN-UHFFFAOYSA-N;HMS2435K09;4-Methoxyphenyl 4-bromophenyl ketone;MFCD00228667;AKOS006034027;BS-28526;SMR000185325;CS-0129036;FT-0640221;(4-Bromo-phenyl)-(4-methoxy-phenyl)-methanone;(4-Bromophenyl)[4-(methyloxy)phenyl]methanone;D85662;AB00080248-01;SR-01000204176;SR-01000204176-1

Chemical Property of 4-Bromo-4'-methoxybenzophenone

Chemical Property:

• Vapor Pressure: 2.14E-06mmHg at 25°C
• Melting Point: 160-161 °C
• Refractive Index: 1.593
• Boiling Point: 393.4 °C at 760 mmHg
• Flash Point: 191.7 °C
• PSA: 26.30000
• Density: 1.401 g/cm³
• LogP: 3.68870
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-4''-methoxybenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-4'-methoxybenzophenone

There total 27 articles about 4-Bromo-4'-methoxybenzophenone 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%

methoxybenzene (100-66-3) + 4-chlorobenzoyl chloride (586-75-4) → 4-bromo-4'-methoxybenzophenone (54118-75-1)

Guidance literature:

aluminum (III) chloride; In dichloromethane; at 5 - 20 ℃; for 3h;

Reference yield: 95.0%

C18H23InO2 + 4-bromo(thiobenzoic) acid S-(4-chlorophenyl) ester (59383-65-2) → 4-bromo-4'-methoxybenzophenone (54118-75-1)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; at 55 ℃; for 16h;

DOI:10.1021/jo050110u

Reference yield: 87.0%

4-methoxyphenylboronic acid (5720-07-0) + 4-bromo-benzaldehyde (1122-91-4) → 4-bromo-4'-methoxybenzophenone (54118-75-1)

Guidance literature:

With potassium phosphate; platinacycle; pentan-3-one; In toluene; at 90 - 100 ℃;

DOI:10.1021/jo101469s

upstream raw materials:

4-Bromobenzoic acid

methoxybenzene

4-chlorobenzoyl chloride

carbon monoxide

Downstream raw materials:

C₂₁H₂₄Br₂O₂

Refernces

• 1、 Liu, Caiping,Han, Jingxuan,Marcelina, Olivia,Nugrahaningrum, Dyah Ari,Huang, Song,Zou, Meijuan,Wang, Guixue,Miyagishi, Makoto,He, Yun,Wu, Shourong,Kasim, Vivi. "Discovery of Salidroside-Derivated Glycoside Analogues as Novel Angiogenesis Agents to Treat Diabetic Hind Limb Ischemia". supporting information. p. 135 - 162. Retrieved 2022/01/14.
• 2、 Hu, Yingying,Shao, Yu,Zhang, Shuwei,Yuan, Yuan,Sun, Zheng,Yuan, Yu,Jia, Xiaodong. "AIBN initiated functionalization of the benzylic sp3 C[sbnd]H and C[sbnd]C bonds in the presence of dioxygen". supporting information. . Retrieved 2021/02/01.