3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 18096-70-3
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• Hs Code.: 2922509090
• European Community (EC) Number: 690-420-6
• ChEMBL ID: CHEMBL1369292
• Nikkaji Number: J1.158.242G,J1.471.866D
• Mol file: 18096-70-3.mol

Synonyms:18096-70-3;3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one;(2E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one;3-(dimethylamino)-1-(4-methoxyphenyl)-2-propen-1-one;(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one;78090-00-3;MFCD00097914;2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-;MLS000546311;SCHEMBL782731;SCHEMBL805340;CHEMBL1369292;FXNAUCNJLHEGGF-CMDGGOBGSA-N;HMS2415E04;AKOS002675849;SMR000169481;CS-0099294;EN300-139002;N10397;AN-584/43090694;J-510869;(2E)-3-(dimethylamino)-1-(4-methoxyphenyl)-2-propen-1-one

Chemical Property of 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• Melting Point: 92-95℃
• PSA: 29.54000
• LogP: 1.95320
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

(2E)-3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=CC(=O)C1=CC=C(C=C1)OC
• Isomeric SMILES: CN(C)/C=C/C(=O)C1=CC=C(C=C1)OC

Technology Process of 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

There total 13 articles about 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-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: 100.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one (18096-70-3)

Guidance literature:

In N,N-dimethyl-formamide; for 3.5h; Reflux;

Reference yield: 99.0%

→ 3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one (18096-70-3)

Guidance literature:

Reference yield: 96.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 3-dimethylamino-4'-methoxyacrylophenone (18096-70-3,78090-00-3)

Guidance literature:

In ethanol; Reflux;

DOI:10.1155/2019/9104653

upstream raw materials:

N,N-dimethylammonium chloride

sodium salt of p-methoxybenzoylacetaldehyde

N,N-dimethylformamide diethyl diacetal

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

5-(4-methoxyphenyl)-1,2-oxazole

<3-chloro-3-(4-methoxyphenyl)-2-propen-1-yliden> dimethyliminium perchlorate

6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

methyl 4-(p-methoxybenzoyl)-3-methylpyrrole-2-carboxylate