3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide

Base Information

Chemical Name:3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide
CAS No.:40951-05-1
Molecular Formula:C14H17NO3
Molecular Weight:247.2897
Hs Code.:
NSC Number:37634
Wikidata:Q76323484
ChEMBL ID:CHEMBL4796547
Mol file:40951-05-1.mol

Synonyms:BRN 0021627;3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide;N,N-Diethyl-3,4-methylenedioxycinnamamide;AI3-20848;40951-05-1;2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diethyl-;4-19-00-03549 (Beilstein Handbook Reference);NSC37634;CHEMBL4796547;SCHEMBL10270783;BDBM435192;HMS1702P06;NSC 37634;NSC-37634;STK260385;AKOS000646931;CCG-356760;US10584134, Example 3-15;LS-123245;(2E)-3-(1,3-benzodioxol-5-yl)-N,N-diethylacrylamide;(2E)-3-(1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide

Suppliers and Price of 3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide

Chemical Property:

Vapor Pressure:2.29E-07mmHg at 25°C
Boiling Point:423.1°C at 760 mmHg
Flash Point:209.7°C
Density:1.166g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:247.12084340
Heavy Atom Count:18
Complexity:312

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=O)C=CC1=CC2=C(C=C1)OCO2
Isomeric SMILES:CCN(CC)C(=O)/C=C/C1=CC2=C(C=C1)OCO2

Technology Process of 3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide

There total 7 articles about 3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide 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: 82.7%

: 109-89-7
diethylamine

: 2373-80-0,38489-76-8
3,4-methylenedioxy-trans-cinnamic acid

: 40951-05-1
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N,N-diethylacrylamide

Guidance literature:: With triethylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 4h;
DOI:10.1016/j.ejmech.2020.112385

Reference yield:

: 109-89-7
diethylamine

: 2373-80-0,38489-76-8
3,4-(methylenedioxy)cinnamic acid

: 40951-05-1
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N,N-diethylacrylamide

Guidance literature:: With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 25 ℃; for 4h;

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 40951-05-1
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N,N-diethylacrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: piperidine; pyridine / 8 h / Reflux

2: triethylamine; HATU / N,N-dimethyl-formamide / 4 h / 20 °C

With piperidine; pyridine; triethylamine; HATU; In N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2020.112385