1-(4-Amino-3-bromo-phenyl)-ethanone

Base Information

• Chemical Name: 1-(4-Amino-3-bromo-phenyl)-ethanone
• CAS No.: 56759-32-1
• Molecular Formula: C8H8BrNO
• Molecular Weight: 214.062
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID30363933
• Wikidata: Q82147677
• Mol file: 56759-32-1.mol

Synonyms:56759-32-1;1-(4-amino-3-bromophenyl)ethanone;1-(4-Amino-3-bromo-phenyl)-ethanone;4'-Amino-3'-bromoacetophenone;4-amino-3-bromoacetophenone;1-(4-amino-3-bromophenyl)ethan-1-one;1-(4-amino-3-bromo-phenyl)ethanone;MFCD00272386;Ethanone, 1-(4-amino-3-bromophenyl)-;4'-amino-3'bromoacetophenone;SCHEMBL842236;DTXSID30363933;BBL101164;CL8659;STL554960;AKOS005257315;AM84074;SB37701;1-(4-azanyl-3-bromanyl-phenyl)ethanone;SY111291;TS-03054;CS-0155123;FT-0600236;EN300-258523;A831164;J-503225;4 inverted exclamation mark -Amino-3 inverted exclamation mark -bromoacetophenone

Chemical Property of 1-(4-Amino-3-bromo-phenyl)-ethanone

Chemical Property:

• Vapor Pressure: 6.75E-05mmHg at 25°C
• Melting Point: 59-62 °C
• Refractive Index: 1.607
• Boiling Point: 344.1 °C at 760 mmHg
• PKA: 0.11±0.10(Predicted)
• Flash Point: 161.9 °C
• PSA: 43.09000
• Density: 1.535 g/cm³
• LogP: 2.81510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Amino-3-bromophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Amino-3-bromo-phenyl)-ethanone

There total 5 articles about 1-(4-Amino-3-bromo-phenyl)-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%

4-acetamido-3-bromoacetophenone (101209-08-9) → 1-(4-amino-3-bromophenyl)-ethanone (56759-32-1)

Guidance literature:

4-acetamido-3-bromoacetophenone; With hydrogenchloride; In water; for 5h; Heating / reflux;

With sodium hydrogencarbonate; In water;

Reference yield: 100.0%

p-aminobenzophenone (99-92-3) → 1-(4-amino-3-bromophenyl)-ethanone (56759-32-1)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 20h; Cooling with ice;

Reference yield: 93.0%

p-aminobenzophenone (99-92-3) + ethylene glycol (107-21-1) → 1-(4-amino-3-bromophenyl)-ethanone (56759-32-1)

Guidance literature:

p-aminobenzophenone; ethylene glycol; With Trimethylphenylammonium tribromide; In tetrahydrofuran; at 0 ℃;

With hydrogenchloride; In tetrahydrofuran; for 1h; Further stages.;

DOI:10.1055/s-2007-966044

upstream raw materials:

4-acetamido-3-bromoacetophenone

p-aminobenzophenone

ethylene glycol

4-(N-acetylamino)acetophenone

Downstream raw materials:

1-(3-bromo-4-chlorophenyl)ethan-1-one

4-acetyl-2-bromobenzonitrile

4-amino-3-cyanoacetophenone

1-{3-bromo-4-[6-(butyl-ethyl-amino)-2-methyl-5-nitro-pyrimidin-4-ylamino]-phenyl}-ethanone

Refernces

• 1、 De Toledo, Ian,Grigolo, Thiago A.,Bennett, James M.,Elkins, Jonathan M.,Pilli, Ronaldo A.. "Modular Synthesis of Di- A nd Trisubstituted Imidazoles from Ketones and Aldehydes: A Route to Kinase Inhibitors". . p. 14187 - 14201. Retrieved 2019/10/16.
• 2、 Shen, Tao,Zhu, Bencong,Lin, Fengguirong,Pan, Jun,Wei, Jialiang,Luo, Xiao,Liu, Jianzhong,Jiao, Ning. "Direct Synthesis of Structurally Divergent Indole Alkaloids from Simple Chemicals". supporting information. p. 815 - 818. Retrieved 2018/07/31.