2-Bromo-1-(2,6-dichlorophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(2,6-dichlorophenyl)ethanone
• CAS No.: 81547-72-0
• Molecular Formula: C8H5 Br Cl2 O
• Molecular Weight: 267.937
• Hs Code.: 2914700090
• European Community (EC) Number: 673-018-5
• DSSTox Substance ID: DTXSID20373627
• Wikidata: Q72454070
• Mol file: 81547-72-0.mol

Synonyms:2-bromo-1-(2,6-dichlorophenyl)ethanone;81547-72-0;2-BROMO-2',6'-DICHLOROACETOPHENONE;MFCD03425177;2-bromo-1-(2,6-dichlorophenyl)ethan-1-one;SCHEMBL169401;DTXSID20373627;TWZKNPCXINHGGZ-UHFFFAOYSA-N;CL8629;2-bromo-2',6'-dichloro-acetophenone;AKOS015996171;AM84069;GS-3823;SY101263;A9995;CS-0186560;FT-0651187;EN300-254289

Chemical Property of 2-Bromo-1-(2,6-dichlorophenyl)ethanone

Chemical Property:

• Refractive Index: 1.5795
• Boiling Point: 259oC
• Flash Point: 110 ºC
• PSA: 17.07000
• Density: 1.695
• LogP: 3.57100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 265.89008
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-1-(2,6-dichlorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1-(2,6-dichlorophenyl)ethanone

There total 3 articles about 2-Bromo-1-(2,6-dichlorophenyl)ethanone 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%

2,6 dichloroacetophenone (2040-05-3) → 2-bromo-1-(2,6-dichloro-phenyl)ethanone (81547-72-0)

Guidance literature:

With bromine; In acetic acid; at 90 ℃; for 1h;

Reference yield:

2,6-dichloro-benzonitrile (1194-65-6) → 2-bromo-1-(2,6-dichloro-phenyl)ethanone (81547-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Mg / 1.) ether, 2.) benzene, ether, cooling than reflux, 2 h

2: Br₂ / CHCl₃

With bromine; magnesium; In chloroform;

Reference yield:

→ 2-bromo-1-(2,6-dichloro-phenyl)ethanone (81547-72-0)

Guidance literature:

upstream raw materials:

2,6 dichloroacetophenone

2,6-dichloro-benzonitrile

Downstream raw materials:

2-(5-amino-1H-tetrazol-1-yl)-1-(2,6-dichlorophenyl)ethan-1-one

2-(5-amino-1H-tetrazol-1-yl)-1-(2,6-dichlorophenyl)ethan-1-ol

1-(2,6-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol

4-(5-(2,6-dichlorophenyl)-1H-imidazol-2-yl)pyridine

Refernces

• 1、 Hameed P, Shahul,Chinnapattu, Murugan,Shanbag, Gajanan,Manjrekar, Praveena,Koushik, Krishna,Raichurkar, Anandkumar,Patil, Vikas,Jatheendranath, Sandesh,Rudrapatna, Suresh S.,Barde, Shubhada P.,Rautela, Nikhil,Awasthy, Disha,Morayya, Sapna,Narayan, Chandan,Kavanagh, Stefan,Saralaya, Ramanatha,Bharath, Sowmya,Viswanath, Pavithra,Mukherjee, Kakoli,Bandodkar, Balachandra,Srivastava, Abhishek,Panduga, Vijender,Reddy, Jitender,Prabhakar,Sinha, Achyut,Jiménez-Díaz, María Belén,Martínez, María Santos,Angulo-Barturen, I?igo,Ferrer, Santiago,Sanz, Laura María,Gamo, Francisco Javier,Duffy, Sandra,Avery, Vicky M.,Magistrado, Pamela A.,Lukens, Amanda K.,Wirth, Dyann F.,Waterson, David,Balasubramanian,Iyer, Pravin S.,Narayanan, Shridhar,Hosagrahara, Vinayak,Sambandamurthy, Vasan K.,Ramachandran, Sreekanth. "Aminoazabenzimidazoles, a Novel Class of Orally Active Antimalarial Agents". supporting information. p. 5702 - 5713. Retrieved 2014/08/05.
• 2、 -. "4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases". Example C(52). . Retrieved 2010/11/29.