3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one
• CAS No.: 114021-54-4
• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.295
• NSC Number: 209943
• UNII: KA9C969TNJ
• Nikkaji Number: J1.420.581K
• ChEMBL ID: CHEMBL4093552

Synonyms:3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one;NSC209943;36685-65-1;NSC 209943;NSC-209943;KA9C969TNJ;SCHEMBL7652698;CHEMBL4093552;2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-;(2E)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one;(E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one;2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-, (2E)-

Chemical Property of 3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 298.08412354
• Heavy Atom Count: 22
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)O
• Isomeric SMILES: COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)O

Technology Process of 3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one

There total 3 articles about 3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-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: 88.0%

1-(2-hydroxy-4-methoxyphenyl)ethanone (552-41-0) + piperonal (120-57-0,30024-74-9) → (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (114021-54-4)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 24h;

Reference yield: 82.0%

1-(2-hydroxy-4-methoxyphenyl)ethanone (552-41-0) + piperonol (495-76-1) → (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (114021-54-4)

Guidance literature:

With potassium hydroxide; In water; for 16h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89287-5

Reference yield: 72.0%

→ (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (114021-54-4) + (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one (28328-71-4)

Guidance literature:

upstream raw materials:

1-(2-hydroxy-4-methoxyphenyl)ethanone

piperonal

piperonol

Downstream raw materials:

6-Benzo[1,3]dioxol-5-yl-4-(2-hydroxy-4-methoxy-phenyl)-2-oxo-cyclohex-3-enecarboxylic acid ethyl ester

4-Benzo[1,3]dioxol-5-yl-6-(2-hydroxy-4-methoxy-phenyl)-2,3a,4,5-tetrahydro-indazol-3-one

3-(2-hydroxy-4-methoxyphenyl)-5-(3,4-methylenedioxyphenyl)cyclohex-2-en-1-one

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