1-(2-Amino-5-bromophenyl)propan-1-one

Base Information

• Chemical Name: 1-(2-Amino-5-bromophenyl)propan-1-one
• CAS No.: 124623-15-0
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• European Community (EC) Number: 862-009-3
• DSSTox Substance ID: DTXSID50435343
• Wikidata: Q82250196
• Mol file: 124623-15-0.mol

Synonyms:1-(2-Amino-5-bromophenyl)propan-1-one;124623-15-0;2-propionyl-4-bromoaniline;1-(2-amino-5-bromophenyl)-propan-1-one;SCHEMBL1145030;QGGYMYVVGFZOCT-UHFFFAOYSA-;DTXSID50435343;QGGYMYVVGFZOCT-UHFFFAOYSA-N;MFCD14582820;AKOS015907624;AS-58901;1-(2-Amino-5-bromo-phenyl)-propan-1-one;FT-0659508;EN300-672917;A805264;InChI=1/C9H10BrNO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3

Chemical Property of 1-(2-Amino-5-bromophenyl)propan-1-one

Chemical Property:

• PSA: 43.09000
• LogP: 3.20520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Amino-5-bromophenyl)propan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Amino-5-bromophenyl)propan-1-one

There total 10 articles about 1-(2-Amino-5-bromophenyl)propan-1-one 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: 76.0%

2-amino-5-bromobenzonitrile (39263-32-6) + ethylmagnesium bromide (925-90-6) → 1-(2-amino-5-bromophenyl)propan-1-one (124623-15-0)

Guidance literature:

2-amino-5-bromobenzonitrile; ethylmagnesium bromide; In tetrahydrofuran; for 2h; Cooling with ice; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; for 2h;

Reference yield: 40.0%

4-bromo-aniline (106-40-1) + propiononitrile (107-12-0) → C9H11BrN2 + 1-(2-amino-5-bromophenyl)propan-1-one (124623-15-0)

Guidance literature:

With boron trichloride; In toluene; at 101 ℃; for 3h;

DOI:10.1021/op0340659

Reference yield:

4-bromo-aniline (106-40-1) + propiononitrile (107-12-0) → 1-(2-amino-5-bromophenyl)propan-1-one (124623-15-0)

Guidance literature:

With hydrogenchloride; aluminium trichloride; boron trichloride; Yield given. Multistep reaction; 1.) benzene, reflux, 8 h, 2.) benzene, 80 deg C, 1 h;

DOI:10.1248/cpb.42.2518

upstream raw materials:

N-(4-bromo-2-propanoylphenyl)acetamide

4-bromo-aniline

propiononitrile

1-(2-acetylaminophenyl)-1-propanone

Downstream raw materials:

1-(2-amino-5-bromophenyl)-1-thiophen-2-yl-propan-1-ol