(2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

Base Information

• Chemical Name: (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
• CAS No.: 149744-62-7
• Molecular Formula: C₁₈H₁₅NO₆
• Molecular Weight: 341.32
• DSSTox Substance ID: DTXSID001120241
• Mol file: 149744-62-7.mol

Synonyms:149744-62-7;(2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one;(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one;(E)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one;DTXSID001120241;STK644890;AKOS001012118;SR-01000108018;SR-01000108018-1;Z56765214;F0196-0279;2-Propen-1-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)-, (E)-

Chemical Property of (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 341.08993720
• Heavy Atom Count: 25
• Complexity: 516

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC1
• Isomeric SMILES: C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC1

Technology Process of (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

There total 1 articles about (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)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: 33.7%

1-(2-hydroxy-5-nitrophenyl)ethanone (1450-76-6) + 3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carbaldehyde (67869-90-3) → (E)-3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2-hydroxy-5-nitro-phenyl)-propenone (149744-62-7) + 2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitro-chroman-4-one

Guidance literature:

With sodium hydroxide; In ethanol; Ambient temperature;

DOI:10.1007/BF00630394

upstream raw materials:

1-(2-hydroxy-5-nitrophenyl)ethanone

3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carbaldehyde