1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one

Base Information

Chemical Name:1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one
CAS No.:204841-35-0
Molecular Formula:C₁₇H₁₅NO₄
Molecular Weight:297.31
Hs Code.:
DSSTox Substance ID:DTXSID601148695
Nikkaji Number:J1.291.622A
ChEMBL ID:CHEMBL160112

Synonyms:CHEMBL160112;DTXSID601148695;1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one;(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2-propen-1-one;204841-35-0

Suppliers and Price of 1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one

Supply Marketing:

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

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Chemical Property of 1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:297.10010796
Heavy Atom Count:22
Complexity:425

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C=CC(=O)C2=CC3=C(C=C2N)OCO3
Isomeric SMILES:COC1=CC=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2N)OCO3

Technology Process of 1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-1-one

There total 1 articles about 1-(6-Amino-1,3-benzodioxole-5-yl)-3-(3-methoxyphenyl)-2-propene-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: 54.5%

: 28657-75-2
2-amino-4,5-methylenedioxy-acetophenone

: 591-31-1
3-methoxy-benzaldehyde

: 204841-35-0
(E)-1-(6-Amino-benzo[1,3]dioxol-5-yl)-3-(3-methoxy-phenyl)-propenone

Guidance literature:: With sodium hydroxide; In ethanol; for 24h; Ambient temperature;
DOI:10.1021/jm9707479

Reference yield: 75.2%

: 204841-35-0
(E)-1-(6-Amino-benzo[1,3]dioxol-5-yl)-3-(3-methoxy-phenyl)-propenone

: 204841-50-9
6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

Guidance literature:: With phosphoric acid; acetic acid; at 100 ℃; for 0.333333h;
DOI:10.1021/jm9707479

Reference yield:

: 204841-35-0
(E)-1-(6-Amino-benzo[1,3]dioxol-5-yl)-3-(3-methoxy-phenyl)-propenone

: 2-{N'-[6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-(8E)-ylidene]-hydrazino}-2-oxo-N-(1-phenyl-ethyl)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 75.2 percent / HOAc, orthophosphoric acid / 0.33 h / 100 °C

2: I₂ / methanol / 3.5 h / Heating

With phosphoric acid; iodine; acetic acid; In methanol;
DOI:10.1021/jm9707479