3-Methoxy-4-acetoxycinnamaldehyde

Base Information

• Chemical Name: 3-Methoxy-4-acetoxycinnamaldehyde
• CAS No.: 65401-83-4
• Molecular Formula: C12H12 O4
• Molecular Weight: 220.225
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID601300807
• Mol file: 65401-83-4.mol

Synonyms:3-methoxy-4-acetoxycinnamaldehyde;VEKAJHBFBMWJKI-UHFFFAOYSA-N;DTXSID601300807

Chemical Property of 3-Methoxy-4-acetoxycinnamaldehyde

Chemical Property:

• Vapor Pressure: 7.42E-05mmHg at 25°C
• Boiling Point: 342.7°C at 760 mmHg
• Flash Point: 151.4°C
• PSA: 52.60000
• Density: 1.162g/cm³
• LogP: 1.83260
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC=O)OC

Technology Process of 3-Methoxy-4-acetoxycinnamaldehyde

There total 18 articles about 3-Methoxy-4-acetoxycinnamaldehyde 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: 96.0%

coniferaldehyde (20649-42-7,458-36-6) + acetic anhydride (108-24-7) → 4-acetoxy-3-methoxycinnamaldehyde (65401-83-4)

Guidance literature:

With pyridine;

Reference yield: 85.0%

2-methoxy-4-(3-oxopropyl)phenyl ethanoate (1006614-61-4) → (E)-2-methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate (65401-83-4,83071-67-4)

Guidance literature:

With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 20 ℃; for 5h; stereoselective reaction;

DOI:10.1007/s11426-011-4432-6

Reference yield: 76.0%

eugenol acetate (93-28-7) → (E)-2-methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate (65401-83-4,83071-67-4)

Guidance literature:

With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,2-dichloro-ethane; at 50 ℃; for 3h;

DOI:10.1055/s-0037-1609554

upstream raw materials:

eugenol acetate

(E)-1-(4-acetoxy-3-methoxyphenyl)-1-propene

2,3-dicyano-5,6-dichloro-p-benzoquinone

coniferaldehyde

Downstream raw materials:

C₂₄H₂₄BrNO₆

C₁₈H₁₆O₄

C₁₉H₁₈O₅

C₁₈H₁₆O₅