(2,6-Dichlorophenyl)(phenyl)methanone

Base Information

• Chemical Name: (2,6-Dichlorophenyl)(phenyl)methanone
• CAS No.: 50609-23-9
• Molecular Formula: C13H8Cl2O
• Molecular Weight: 251.112
• European Community (EC) Number: 660-947-6
• DSSTox Substance ID: DTXSID40391742
• Nikkaji Number: J89.573C
• Wikidata: Q82189419
• Mol file: 50609-23-9.mol

Synonyms:(2,6-dichlorophenyl)(phenyl)methanone;50609-23-9;(2,6-dichlorophenyl)-phenylmethanone;(2,6-Dichloro-phenyl)-phenyl-methanone;2,6-Dichlorobenzophenone;Methanone, (2,6-dichlorophenyl)phenyl-;SCHEMBL1042856;DTXSID40391742;MFCD00156821;AKOS009338875;CS-0230942;EN300-106316;Z385417034

Chemical Property of (2,6-Dichlorophenyl)(phenyl)methanone

Chemical Property:

• PSA: 17.07000
• LogP: 4.22440
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.9952203
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

(2,6-Dichloro-phenyl)-phenyl-methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2Cl)Cl

Technology Process of (2,6-Dichlorophenyl)(phenyl)methanone

There total 9 articles about (2,6-Dichlorophenyl)(phenyl)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: 75.0%

2,6-dichlorobenzaldehyde (83-38-5) + phenylboronic acid (98-80-6) → (2,6-dichlorophenyl)(phenyl)methanone (50609-23-9)

Guidance literature:

With potassium carbonate; In water; at 110 ℃; for 8h; Inert atmosphere;

DOI:10.1021/acs.organomet.6b00163

Reference yield: 75.0%

1,3-dichloro-2-iodobenzene (19230-28-5) + tert-butyl benzoyl(tert-butoxycarbonyl)carbamate (135364-97-5) → (2,6-dichlorophenyl)(phenyl)methanone (50609-23-9)

Guidance literature:

1,3-dichloro-2-iodobenzene; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 3h; Inert atmosphere; Schlenk technique;

tert-butyl benzoyl(tert-butoxycarbonyl)carbamate; In tetrahydrofuran; at -20 - 20 ℃; for 15.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201904678

Reference yield: 64.0%

1-bromo-2,6-dichlorobenzene (19393-92-1) + tert-butyl benzoyl(tert-butoxycarbonyl)carbamate (135364-97-5) → (2,6-dichlorophenyl)(phenyl)methanone (50609-23-9)

Guidance literature:

1-bromo-2,6-dichlorobenzene; With TurboGrignard; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

tert-butyl benzoyl(tert-butoxycarbonyl)carbamate; In tetrahydrofuran; at -20 - 20 ℃; for 15.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201904678

upstream raw materials:

2,6-dichloro-benzonitrile

toluene

2,6-Dichlorbenzophenonimin

2,6-Dichlorobenzoyl chloride

Downstream raw materials:

4-Chloro-3-phenyl-benzo[d]isothiazole

benzoic acid

1,3-Dichlorobenzene

Refernces

• 1、 Daneshvar, Anahita,Moghadam, Majid,Tangestaninejad, Shahram,Mirkhani, Valiollah,Mohammadpoor-Baltork, Iraj,Khalili, Akram. "Ruthenium Hydride Complex Supported on Gold Nanoparticle Cored Triazine Dendrimers for C-C Coupling Reactions". . p. 1747 - 1755. Retrieved 2016/07/06.
• 2、 Kulp, Stuart S.,Romanelli, Anthony. "REDUCTIVE DECYANATION vs ADDITION OF GRIGNARD REAGENTS WITH HINDERED NITRILES". . p. 7 - 12. Retrieved 2007/10/03.