5-(3,4-dimethoxyphenyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-2-en-1-one

Base Information

• Chemical Name: 5-(3,4-dimethoxyphenyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-2-en-1-one
• CAS No.: 16831-33-7
• Molecular Formula: C₂₄H₂₆O₅
• Molecular Weight: 394.467
• NSC Number: 206116
• DSSTox Substance ID: DTXSID10422214
• Mol file: 16831-33-7.mol

Synonyms:NSC206116;16831-33-7;DTXSID10422214;NSC-206116

Chemical Property of 5-(3,4-dimethoxyphenyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 2.13E-12mmHg at 25°C
• Boiling Point: 555.9°C at 760 mmHg
• Flash Point: 240.6°C
• PSA: 53.99000
• Density: 1.186g/cm³
• LogP: 4.80730
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 394.17802393
• Heavy Atom Count: 29
• Complexity: 598

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C2=CC(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)OC

Technology Process of 5-(3,4-dimethoxyphenyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-2-en-1-one

There total 4 articles about 5-(3,4-dimethoxyphenyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-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:

6-(3,4-dimethoxy-phenyl)-4-(3,4-dimethoxy-styryl)-2-oxo-cyclohex-3-enecarboxylic acid ethyl ester → 3-(3,4-Dimethoxystyryl)-5-(3,4-dimethoxyphenyl)-cyclohex-2-enon (16831-33-7)

Guidance literature:

With sulfuric acid; acetic acid;

Reference yield:

acetone (67-64-1) → 3-(3,4-Dimethoxystyryl)-5-(3,4-dimethoxyphenyl)-cyclohex-2-enon (16831-33-7)

Guidance literature:

With sodium hydroxide;

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) + acetone (67-64-1) → 3-(3,4-Dimethoxystyryl)-5-(3,4-dimethoxyphenyl)-cyclohex-2-enon (16831-33-7)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

3,4-dimethoxy-benzaldehyde

acetone

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