1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride
• CAS No.: 75144-12-6
• Molecular Formula: C11H13 Cl2 N O . Cl H
• Molecular Weight: 282.597
• NSC Number: 304108
• DSSTox Substance ID: DTXSID10386943
• ChEMBL ID: CHEMBL536752
• Mol file: 75144-12-6.mol

Synonyms:75144-12-6;1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride;Antitrypanosomal agent 1;1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanone HCl;1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride;MFCD01220371;1-(3,4-Dichlorophenyl)-3-(dimethylamino)-1-propanone Hydrochloride;1-(3,4-DICHLOROPHENYL)-3-DIMETHYLAMINO-1-PROPANONE HYDROCHLORIDE;CHEMBL536752;BIM-0008404.P001;Cambridge id 5927943;SCHEMBL16414647;DTXSID10386943;1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one,hydrochloride;LT0130;NSC304108;HY-W052512;NSC-304108;SB82221;SY096675;CS-0045380;A917765;SR-01000223590;SR-01000223590-1;1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one HCl;1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-one hydrochloride;1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-onehydrochloride;1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanonehydrochloride;1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one--hydrogen chloride (1/1)

Chemical Property of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 7.82E-05mmHg at 25°C
• Boiling Point: 341.9°C at 760 mmHg
• Flash Point: 160.6°C
• PSA: 20.31000
• Density: 1.22g/cm³
• LogP: 3.92980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 281.014097
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl

Technology Process of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride

There total 3 articles about 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride 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: 81.9%

3-chloro-1-(3,4-dichlorophenyl)propan-1-one (35857-66-0) + dimethyl amine (124-40-3) → 1-(3,4-dichlorophenyl)-3-dimethylamino-1-propanone hydrochloride (75144-12-6)

Guidance literature:

3-chloro-1-(3,4-dichlorophenyl)propan-1-one; dimethyl amine; In ethanol; water; for 3h; Reflux;

With hydrogenchloride; In ethyl acetate;

Reference yield: 50.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + 3',4'-dichloroacetophenone (2642-63-9) → 1-(3,4-dichlorophenyl)-3-dimethylamino-1-propanone hydrochloride (75144-12-6)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1021/jm010459j

Reference yield:

1,2-dichloro-benzene (95-50-1) → 1-(3,4-dichlorophenyl)-3-dimethylamino-1-propanone hydrochloride (75144-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / 8 h / 70 °C

2: ethanol; water / 3 h / Reflux

With aluminum (III) chloride; In ethanol; water;

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

3',4'-dichloroacetophenone

1,2-dichloro-benzene

Downstream raw materials:

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

1-(3,4-dichlorophenyl)-3-dimethylamino-1-propanone hydrobromide

1-(3,4-dichlorophenyl)prop-2-en-1-one

1-(3,4-dichlorophenyl)-3-(dimethylamino)-1-propanone

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