(2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: (2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one
• CAS No.: 195813-59-3
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• Hs Code.: 2922509090
• European Community (EC) Number: 690-418-5
• Mol file: 195813-59-3.mol

Synonyms:195813-59-3;(2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one;(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one;927829-31-0;3-(DIMETHYLAMINO)-1-(2-METHOXYPHENYL)PROP-2-EN-1-ONE;SCHEMBL2210460;SCHEMBL2210467;(2E)-3-(Dimethylamino)-1-(2-methoxyphenyl) Prop-2-en-1-one;(2E)-3-(Dimethylamino)-1-(2-methoxyphenyl)-prop-2-en-1-one;MFCD08689452;AKOS004900426;BB 0259598;CS-0300186;EN300-1126257;3-Dimethylamino-1-(2-methoxyphenyl)-2-propen-1-one

Chemical Property of (2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• Melting Point: 59-63℃
• Boiling Point: 316.8±42.0 °C(Predicted)
• PKA: 6.43±0.70(Predicted)
• PSA: 29.54000
• Density: 1.050±0.06 g/cm3(Predicted)
• LogP: 1.95320
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

(2E)-3-(Dimethylamino)-1-(2-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=CC=C1OC
• Isomeric SMILES: CN(C)/C=C/C(=O)C1=CC=CC=C1OC
• Uses: (2E)-3-(Dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one is used as a reactant in preparation of Dihydroimidazopyrimidinamines via reaction of phenylpyrimidinamines with Trifluoro Acetic acid and Benzaldehyde. It is also used as a reactant in Synthesis of Isoflavones by Tandem Demethylation and Ring-?Opening?/Cyclization of Methoxybenzoylbenzofurans.

Technology Process of (2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

There total 1 articles about (2E)-3-(dimethylamino)-1-(2-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:

2-Methoxyacetophenone (579-74-8) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (Z)-3-Dimethylamino-1-(2-methoxy-phenyl)-propenone (195813-59-3)

Guidance literature:

for 12h; Heating;

DOI:10.1016/S0960-894X(03)00645-0

Reference yield: 86.0%

p-benzoquinone (106-51-4) + (Z)-3-Dimethylamino-1-(2-methoxy-phenyl)-propenone (195813-59-3) → 5-hydroxy-3-(2'-methoxybenzoyl)benzo[b]furan

Guidance literature:

With acetic acid; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jnatprod.9b00681

Reference yield: 75.0%

2,6-dichloro-1,4-benzoquinone (697-91-6) + (Z)-3-Dimethylamino-1-(2-methoxy-phenyl)-propenone (195813-59-3) → 4,6-dichloro-5-hydroxy-3-(2'-methoxybenzoyl)benzo[b]furan

Guidance literature:

With acetic acid; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jnatprod.9b00681

upstream raw materials:

2-Methoxyacetophenone

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

3-Cyano-6-(2-methoxyphenyl)-2(1H)-pyridinone

6-(2-methoxyphenyl)-3-cyanopyridine-2-(1H)-thione

3-amino-6-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide