3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-

Base Information

• Chemical Name: 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-
• CAS No.: 66596-42-7
• Molecular Formula: C15H17NO4
• Molecular Weight: 275.2998
• Hs Code.: 2934999090
• Nikkaji Number: J65.763H
• Wikidata: Q76326490

Synonyms:BRN 5289858;1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-buten-3-one;66596-42-7;3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-;1-BUTEN-3-ONE, 1-(3,4-METHYLENEDIOXYPHENYL)-4-MORPHOLINO-;SCHEMBL11478732;LS-47313

Chemical Property of 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-

Chemical Property:

• Vapor Pressure: 1.11E-07mmHg at 25°C
• Boiling Point: 432.4°Cat760mmHg
• Flash Point: 215.3°C
• PSA: 48.00000
• Density: 1.252g/cm³
• LogP: 1.26770
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 275.11575802
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC(=O)C=CC2=CC3=C(C=C2)OCO3
• Isomeric SMILES: C1COCCN1CC(=O)/C=C/C2=CC3=C(C=C2)OCO3

Technology Process of 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-

There total 2 articles about 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)- 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:

3-morpholinoacetone (6704-35-4) + piperonal (120-57-0,30024-74-9) → (E)-4-Benzo[1,3]dioxol-5-yl-1-morpholin-4-yl-but-3-en-2-one (66596-42-7)

Guidance literature:

With sodium carbonate; for 3h; Ambient temperature;

Reference yield:

→ 4-benzo[1,3]dioxol-5-yl-1-morpholin-4-yl-but-3-en-2-one (66596-42-7)

Guidance literature:

3,4-Methylendioxybenzaldehyd, Acetonyl-N-morpholin;

Reference yield:

(E)-4-Benzo[1,3]dioxol-5-yl-1-morpholin-4-yl-but-3-en-2-one (66596-42-7) → C15H19NO4 (66596-53-0)

Guidance literature:

With potassium borohydride; In methanol;

upstream raw materials:

3-morpholinoacetone

piperonal

Downstream raw materials:

C₁₅H₁₉NO₄

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