2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride

Base Information

• Chemical Name: 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
• CAS No.: 100595-96-8
• Molecular Formula: C12H15 N O . Cl H
• Molecular Weight: 225.718
• NSC Number: 382011
• DSSTox Substance ID: DTXSID50143416
• ChEMBL ID: CHEMBL468975

Synonyms:CCRIS 8957;100595-96-8;2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride;1-Phenyl-2-dimethylaminomethyl-2-propen-1-one hydrochloride;2-((Dimethylamino)methyl)-1-phenyl-2-propen-1-one hydrochloride;CHEMBL468975;SCHEMBL4799828;DTXSID50143416;NSC382011;NSC-382011;LS-123891;LS-125193;2-((DIMETHYLAMINO)METHYL)-1-PHENYL-2-PROPEN-1-ONE HYDROCLORIDE

Chemical Property of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride

Chemical Property:

• Vapor Pressure: 0.00466mmHg at 25°C
• Boiling Point: 276.9°C at 760 mmHg
• Flash Point: 93.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride

There total 4 articles about 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, 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: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + acetophenone (98-86-2) → 1-phenyl-2-(dimethylaminomethyl)prop-2-en-1-one hydrochloride (100595-96-8)

Guidance literature:

With acetic acid; for 12h; Heating;

DOI:10.1248/cpb.55.511

Reference yield: 58.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + acetophenone (98-86-2) → 1-phenyl-2-(dimethylaminomethyl)prop-2-en-1-one hydrochloride (100595-96-8)

Guidance literature:

In N,N-dimethyl-formamide; at 125 ℃; for 1.5h;

DOI:10.1055/s-1998-2056

Reference yield:

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + acetophenone (98-86-2) → 1-phenyl-2-(dimethylaminomethyl)prop-2-en-1-one hydrochloride (100595-96-8)

Guidance literature:

at 130 ℃; for 2h;

DOI:10.1016/j.ejmech.2008.12.007

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

acetophenone

N,N-dimethyl(methylene)ammonium chloride

Downstream raw materials:

3-(2-benzoylallyl)-4-hydroxy-6-methylpyran-2-one

3-benzoyl-3,4-dihydro-2H-6,8-dimethylpyrido[1,2-a]pyrimidinium perchlorate

3-benzoyl-3,4-dihydro-8-methyl-2H-pyrido[1,2-a]pyrimidine perchlorate

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