1-(2-Amino-4-bromophenyl)propan-1-one

Base Information

• Chemical Name: 1-(2-Amino-4-bromophenyl)propan-1-one
• CAS No.: 36372-62-0
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID30385392
• Mol file: 36372-62-0.mol

Synonyms:1-(2-amino-4-bromophenyl)propan-1-one;36372-62-0;1-(2-Amino-4-bromo-phenyl)-propan-1-one;5-bromo-2-propanoylaniline;Cambridge id 5216238;Oprea1_220209;SCHEMBL9040421;DTXSID30385392;MFCD00561831;STK074354;AKOS005391097;AT27912;BS-28144;CS-0210207;EN300-672918;SR-01000198958;SR-01000198958-1

Chemical Property of 1-(2-Amino-4-bromophenyl)propan-1-one

Chemical Property:

• PSA: 43.09000
• LogP: 3.20520
• XLogP3: 3
• 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:

99% ^*data from raw suppliers

1-(2-AMINO-4-BROMO-PHENYL)-PROPAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Amino-4-bromophenyl)propan-1-one

There total 9 articles about 1-(2-Amino-4-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: 72.0%

m-Bromoaniline (591-19-5) + propiononitrile (107-12-0) → 1-(2-amino-4-bromophenyl)propan-1-one (36372-62-0)

Guidance literature:

With aluminum (III) chloride; boron trichloride; In toluene; Reflux;

DOI:10.1021/op0340659

Reference yield: 46.0%

N-(5-bromo-2-propanoylphenyl)cyclopropane-carboxamide → 1-(2-amino-4-bromophenyl)propan-1-one (36372-62-0) + 2-cyclopropyl-7-bromo-3-methylquinolin-4(1H)-one

Guidance literature:

With sodium ethanolate; In ethanol; for 7h; Reflux;

DOI:10.1134/S107042801607006X

Reference yield: 25.0%

propyl cyanide (109-74-0) + m-Bromoaniline (591-19-5) → 1-(2-amino-4-bromophenyl)propan-1-one (36372-62-0)

Guidance literature:

m-Bromoaniline; With boron trichloride; In n-heptane; dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere;

propyl cyanide; With aluminum (III) chloride; In n-heptane; dichloromethane; for 24h; Inert atmosphere; Reflux;

With hydrogenchloride; water; In n-heptane; dichloromethane; at 0 - 80 ℃; for 1.16667h; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112133

upstream raw materials:

2-propionyl-5-bromonitrosobenzene

m-Bromoaniline

propiononitrile

1-bromo-4-cyclopropylbenzene

Downstream raw materials:

C₁₇H₁₆BrNO₂