1-(4-Aminophenyl)-2-bromoethanone

Base Information

• Chemical Name: 1-(4-Aminophenyl)-2-bromoethanone
• CAS No.: 23442-14-0
• Molecular Formula: C8H8BrNO
• Molecular Weight: 214.062
• Hs Code.: 2922399090
• European Community (EC) Number: 675-040-0
• DSSTox Substance ID: DTXSID40463731
• Nikkaji Number: J395.460I
• Wikidata: Q82288749
• Mol file: 23442-14-0.mol

Synonyms:23442-14-0;1-(4-aminophenyl)-2-bromoethanone;4'-Aminophenacyl bromide;4'-Amino-2-bromoacetophenone;Ethanone, 1-(4-aminophenyl)-2-bromo-;1-(4-AMINOPHENYL)-2-BROMOETHAN-1-ONE;1-(4-amino-phenyl)-2-bromo-ethanone;(aminophenyl)bromoethanone;4-Amino-2-bromoacetophenone;p-aminophenacylbromide;4'-Aminophenacylbromide;LCZC1166;SCHEMBL2151966;DTXSID40463731;KEDZCZPTPIYWLM-UHFFFAOYSA-N;AMY41606;4 iacute -Amino-2-bromoacetophenone;MFCD09744997;AKOS022172802;CS-0170983;FT-0661614;A816717;J-015107;1-(4-aminophenyl)-2-bromo-ethanone;4'-AMINOPHENACYL BROMIDE

Chemical Property of 1-(4-Aminophenyl)-2-bromoethanone

Chemical Property:

• Vapor Pressure: 6.62E-05mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 344.4 °C at 760 mmHg
• PKA: 1.68±0.10(Predicted)
• Flash Point: 162.1 °C
• PSA: 43.09000
• Density: 1.569 g/cm³
• LogP: 2.42760
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99%, ^*data from raw suppliers

4''-Amino-2-bromoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)N
• Uses: 4''-Amino-2-bromoacetophenone is a useful reagent for the synthesis of novel VO(II)- triazole complexes.

Technology Process of 1-(4-Aminophenyl)-2-bromoethanone

There total 6 articles about 1-(4-Aminophenyl)-2-bromoethanone 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: 77.0%

p-aminobenzophenone (99-92-3) → 4-aminophenacyl bromide (23442-14-0)

Guidance literature:

With urea-hydrogen peroxide; acetic acid; sodium bromide; silica gel; at 100 - 102 ℃; for 0.0111111h; microwave irradiation;

Reference yield: 63.0%

4-acetylaminophenacyl bromide (21675-02-5) → 4-aminophenacyl bromide (23442-14-0)

Guidance literature:

With sulfuric acid; In methanol; for 2.5h; Reflux;

Reference yield:

4-Nitrophenacyl bromide (99-81-0) → 4-aminophenacyl bromide (23442-14-0)

Guidance literature:

With sodium tetrahydroborate; C₂₅H₃₇ClN₃O₂Ru⁽¹⁺⁾*BF₄^(1-); In ethanol; at 20 ℃; for 0.5h;

DOI:10.1002/aoc.4689

upstream raw materials:

p-aminobenzophenone

Acetanilid

4-acetylaminophenacyl bromide

4-Nitrophenacyl bromide

Downstream raw materials:

4-(6,6-Dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-2-yl)-phenylamine

1-(4-aminophenyl)-2-(1H-imidazol-1-yl)ethanone

3-indolylacetamide

tridecanoic acid[2,6-diethyl-2,3,6-trimethyl-1-(1-phenyl-ethoxy)-piperidin-4-yl]-amide

Refernces

• 1、 Pitchaimani, Jayaraman,Gunasekaran, Nanjappan,Anthony, Savarimuthu Philip,Moon, Dohyun,Madhu, Vedichi. "Hydrogenation of nitroaromatics to anilines catalyzed by air-stable arene ruthenium (II)–NNN pincer complexes". . . Retrieved 2019/04/14.
• 2、 -. "INHIBITORS OF HISTONE DEACETYLASE". . . Retrieved 2016/04/26.