3-Amino-1-(4-chlorophenyl)propan-1-one

Base Information

• Chemical Name: 3-Amino-1-(4-chlorophenyl)propan-1-one
• CAS No.: 1798-83-0
• Molecular Formula: C11H14 Cl N O . Cl H
• Molecular Weight: 248.152
• Hs Code.: 2922399090
• Mol file: 1798-83-0.mol

Synonyms:3-amino-1-(4-chlorophenyl)propan-1-one;3-(4-chlorophenyl)-N,N-dimethyl-3-oxo-1-propanaminium chloride;AKOS005098167;NS-00060

Chemical Property of 3-Amino-1-(4-chlorophenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000615mmHg at 25°C
• Melting Point: 174-175 °C
• Boiling Point: 310°Cat760mmHg
• Flash Point: 141.3°C
• PSA: 20.31000
• Density: g/cm³
• LogP: 3.27640
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly, Heated)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 247.0530695
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-oneHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCC(=O)C1=CC=C(C=C1)Cl.[Cl-]

Technology Process of 3-Amino-1-(4-chlorophenyl)propan-1-one

There total 5 articles about 3-Amino-1-(4-chlorophenyl)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: 93.2%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-3-dimethylamino-propan-1-one hydrochloride (1798-83-0)

Guidance literature:

formaldehyd; N,N-dimethylammonium chloride; para-chloroacetophenone; With hydrogenchloride; In ethanol; water; for 5h; Reflux;

With sodium hydrogencarbonate; In dichloromethane; water; for 0.333333h;

With hydrogenchloride; In ethyl acetate;

Reference yield: 84.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-3-dimethylamino-propan-1-one hydrochloride (1798-83-0)

Guidance literature:

In acetonitrile; for 2h; Ambient temperature;

DOI:10.1002/jps.2600720812

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-methylmethanamine hydrochloride + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-3-dimethylamino-propan-1-one hydrochloride (1798-83-0)

Guidance literature:

In ethanol; water; for 2h; Reflux;

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

para-chloroacetophenone

N,N-dimethyl(methylene)ammonium chloride

Downstream raw materials:

1-(p-Chlorophenyl)-3-(4'-morpholinyl)-1-propanone

1-[3-(4-Chloro-phenyl)-3-oxo-propyl]-1H-pyridin-2-one

[3-(4-chloro-phenyl)-3-oxo-propyl]-trimethyl-ammonium; bromide

5-(4-Chloro-phenyl)-2-methanesulfinyl-1-phenyl-pentane-1,5-dione