1-(2-Amino-4-bromophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Amino-4-bromophenyl)ethanone
• CAS No.: 123858-51-5
• Molecular Formula: C8H8BrNO
• Molecular Weight: 214.062
• Hs Code.: 2922399090
• European Community (EC) Number: 843-339-7
• ChEMBL ID: CHEMBL4890451
• DSSTox Substance ID: DTXSID30561073
• Wikidata: Q72438356
• Mol file: 123858-51-5.mol

Synonyms:1-(2-Amino-4-bromophenyl)ethanone;123858-51-5;Ethanone, 1-(2-amino-4-bromophenyl)-;1-(2-amino-4-bromophenyl)ethan-1-one;MFCD16659002;2'-Amino-4'-bromoacetophenone;2-amino-4-bromoacetophenone;SCHEMBL1189192;CHEMBL4890451;DTXSID30561073;RCGAXUAOILUCAA-UHFFFAOYSA-N;1-(2-Amino-4-bromo-phenyl)ethanone;AKOS015920207;CS-W006736;GS-3738;SY102002;EN300-59435;A890641;Z906123248;2 inverted exclamation mark -Amino-4 inverted exclamation mark -bromoacetophenone

Chemical Property of 1-(2-Amino-4-bromophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 82-84℃
• Boiling Point: 322.9±27.0 °C(Predicted)
• PKA: 1.23±0.10(Predicted)
• PSA: 43.09000
• Density: 1.535
• LogP: 2.81510
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• 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:

97% ^*data from raw suppliers

1-(2-Amino-4-bromophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Amino-4-bromophenyl)ethanone

There total 9 articles about 1-(2-Amino-4-bromophenyl)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%

N-(2-acetyl-5-bromophenyl)-4-methylbenzenesulfonamide (1438400-32-8) → 1-(2-amino-4-bromophenyl)ethanone (123858-51-5)

Guidance literature:

N-(2-acetyl-5-bromophenyl)-4-methylbenzenesulfonamide; With sulfuric acid; at 0 - 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

With sodium hydrogencarbonate; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3cc41915k

Reference yield: 86.0%

4’-bromo-2’-nitroacetophenone (90004-94-7) → 1-(2-amino-4-bromophenyl)ethanone (123858-51-5)

Guidance literature:

With iron; In water; acetic acid; for 1h; Heating;

Reference yield: 60.0%

acetonitrile (75-05-8,26809-02-9) + m-Bromoaniline (591-19-5) → 1-(2-amino-4-bromophenyl)ethanone (123858-51-5)

Guidance literature:

m-Bromoaniline; With boron trichloride; In 1,2-dichloro-ethane; at 0 ℃;

acetonitrile; With aluminum (III) chloride; at 80 ℃;

With hydrogenchloride; water; at 80 ℃; for 0.5h;

DOI:10.1021/acs.jmedchem.5b00515

upstream raw materials:

4’-bromo-2’-nitroacetophenone

m-Bromoaniline

acetonitrile

2-amino-4-bromobenzoic acid

Downstream raw materials:

6-(2'-Acetyl-5'-bromphenylamino)-5,8-chinolindion

7-bromo-4-chlorocinnoline