N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride

Base Information

• Chemical Name: N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride
• CAS No.: 5250-02-2
• Molecular Formula: C12H17 N O . Cl H
• Molecular Weight: 227.734
• Hs Code.: 2922399090
• Mol file: 5250-02-2.mol

Synonyms:N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride;AKOS005100395;7X-0926;6-(3-Chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole

Chemical Property of N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Boiling Point: 318.2°Cat760mmHg
• Flash Point: 146.2°C
• PSA: 20.31000
• Density: g/cm³
• LogP: 2.93140
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.1076919
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Dimethylamino)-1-(p-tolyl)propan-1-onehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CC[NH+](C)C.[Cl-]
• Uses: 3-(Dimethylamino)-1-(4-methoxyphenyl)-propan-1-one, HCl

Technology Process of N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride

There total 4 articles about N,N-dimethyl-3-(4-methylphenyl)-3-oxo-1-propanaminium chloride 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: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + para-methylacetophenone (122-00-9) → 3-(dimethylamino)-4'-methyl propiophenone hydrochloride (5250-02-2)

Guidance literature:

With hydrogenchloride; In ethanol; for 36h; Heating;

DOI:10.1021/ol052599j

Reference yield: 82.9%

→ 3-(dimethylamino)-4'-methyl propiophenone hydrochloride (5250-02-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 5h; Reflux;

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

With hydrogenchloride; In ethyl acetate;

Reference yield:

N,N-dimethylammonium chloride (506-59-2) + para-methylacetophenone (122-00-9) → 3-(dimethylamino)-4'-methyl propiophenone hydrochloride (5250-02-2)

Guidance literature:

With hydrogenchloride; paraformaldehyde; In ethanol; acetone;

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

para-methylacetophenone

dimethyl amine

Downstream raw materials:

3-piperidin-1-yl-1-p-tolyl-propan-1-one

3-morpholin-4-yl-1-p-tolyl-propan-1-one

β-Formylamino-4-methyl-propiophenon

trimethyl-(3-oxo-3-p-tolyl-propyl)-ammonium; bromide

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