2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-

Base Information

• Chemical Name: 2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-
• CAS No.: 18103-98-5
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID00352596
• Mol file: 18103-98-5.mol

Synonyms:3-(dimethylamino)-1-(4-methylphenyl)prop-2-en-1-one;2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-;DTXSID00352596;RRVBRKWQJVEFJN-UHFFFAOYSA-N;3-dimethylamino-4'-methylacrylophenone;AKOS017382092;3-dimethylamino-1-p-tolylprop-2-en-1-one;3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-one

Chemical Property of 2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-

Chemical Property:

• Melting Point: 89-91 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 290.7±40.0 °C(Predicted)
• PKA: 6.46±0.70(Predicted)
• PSA: 20.31000
• Density: 1.008±0.06 g/cm3(Predicted)
• LogP: 2.25300
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=CN(C)C

Technology Process of 2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)-

There total 14 articles about 2-Propen-1-one, 3-(dimethylamino)-1-(4-methylphenyl)- 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%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + para-methylacetophenone (122-00-9) → 3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one (18103-98-5)

Guidance literature:

In N,N-dimethyl-formamide; for 24h; Reflux;

DOI:10.1016/j.tet.2010.09.080

Reference yield: 94.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + para-methylacetophenone (122-00-9) → (E)-3-(dimethylamino)-1-p-tolylprop-2-en-1-one (18103-98-5)

Guidance literature:

In ethanol; Reflux;

DOI:10.1155/2019/9104653

Reference yield: 91.0%

para-methylacetophenone (122-00-9) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → 3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one (18103-98-5)

Guidance literature:

for 20h; Heating;

DOI:10.1021/jo01312a011

upstream raw materials:

N,N-dimethylammonium chloride

sodium salt of p-toluoylacetaldehyde

β-N,N-dimethylaminovinyl tolyl thioketone

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

trans-3-(2-Thiazolylamino)-1-p-tolyl-2-propen-1-on

5-(4-methylphenyl)isoxazole

4-p-Tolyl-benzo[4,5]imidazo[1,2-a]pyrimidine

2-p-Tolyl-benzo[4,5]imidazo[1,2-a]pyrimidine