1-(3-Bromophenyl)-2-(tert-butylamino)propan-1-one

Base Information

• Chemical Name: 1-(3-Bromophenyl)-2-(tert-butylamino)propan-1-one
• CAS No.: 1049974-35-7
• Molecular Formula: C₁₃H₁₈BrNO
• Molecular Weight: 284.196
• Hs Code.: 2923900100
• UNII: BA7SW58FKS
• Pharos Ligand ID: NGZM9LSAW5TL
• ChEMBL ID: CHEMBL565396
• Mol file: 1049974-35-7.mol

Synonyms:1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one;BA7SW58FKS;UNII-BA7SW58FKS;CHEMBL565396;2-(N-tert-Butylamino)-3'-bromopropiophenone;1-(3-Bromophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone;1-Propanone, 1-(3-bromophenyl)-2-((1,1-dimethylethyl)amino)-;1049974-35-7;D0C0GL;SCHEMBL769683;BDBM50302930;PD089642;2-(N-tert-Butylamino)-3''-bromopropiophenone

Chemical Property of 1-(3-Bromophenyl)-2-(tert-butylamino)propan-1-one

Chemical Property:

• Boiling Point: 349.7±27.0 °C(Predicted)
• Density: 1.241±0.06 g/cm3(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 283.05718
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

95%-98% ^*data from raw suppliers

Bupropion Hydrochloride Related Compound B United States Pharmacopeia (USP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3-Bromophenyl)-2-(tert-butylamino)propan-1-one

There total 4 articles about 1-(3-Bromophenyl)-2-(tert-butylamino)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: 94.0%

2-Bromo-3'-bromopropiophenone (76650-08-3) + tert-butylamine (75-64-9) → 2-(N-tert-butylamino)-3'-bromopropiophenone (1049974-35-7)

Guidance literature:

at 80 ℃; for 2h;

DOI:10.1021/jm901189z

Reference yield:

3-chloro-benzonitrile (766-84-7) → 2-(N-tert-butylamino)-3'-bromopropiophenone (1049974-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: 1.) Br₂ / 1.) MeOH, 2.) CH₃CN

With bromine; In ethanol;

DOI:10.1016/S0960-894X(96)00577-X

Reference yield:

3-chlorobenzoate (535-80-8) → 2-(N-tert-butylamino)-3'-bromopropiophenone (1049974-35-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) SOCl₂, 2.) NH₄OH, 3.) SOCl₂ / 2.) dioxane, 3.) reflux

2: ethanol

3: 1.) Br₂ / 1.) MeOH, 2.) CH₃CN

With ammonium hydroxide; thionyl chloride; bromine; In ethanol;

DOI:10.1016/S0960-894X(96)00577-X

upstream raw materials:

1-(3-bromophenyl)-1-propanone

tert-butylamine

3-chloro-benzonitrile

3-chlorobenzoate

Downstream raw materials:

2-(N-tert-butylamino)-3'-bromopropiophenone fumarate