3,4-Dimethoxy cinnamaldehyde

Base Information

• Chemical Name: 3,4-Dimethoxy cinnamaldehyde
• CAS No.: 4497-40-9
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2912499000
• European Community (EC) Number: 849-531-7
• DSSTox Substance ID: DTXSID701025105
• Nikkaji Number: J323.788E,J103.934B
• Wikidata: Q27159234
• Metabolomics Workbench ID: 70631
• ChEMBL ID: CHEMBL465888
• Mol file: 4497-40-9.mol

Synonyms:3,4-dimethoxy cinnamaldehyde;Methylconiferylaldehyde;3,4-Dimethoxycinnamaldehyde;(E)-3-(3,4-dimethoxyphenyl)prop-2-enal;4497-40-9;58045-88-8;2-Propenal, 3-(3,4-dimethoxyphenyl)-;bmse010082;(2E)-3-(3,4-dimethoxyphenyl)prop-2-enal;Cinnamaldehyde, 3,4-dimethoxy-;CHEBI:86548;2-Propenal, 3-(3,4-dimethoxyphenyl)-, (2E)-;3-(3,4-dimethoxyphenyl)prop-2-enal;AC1NT9G2;3-(3,4-Dimethoxyphenyl)-2-propenal;trans-3,4-dimethoxycinnamaldehyde;Coniferaldehyde methyl ether;SCHEMBL563071;CHEMBL465888;(E)-3,4-Dimethoxycinnamaldehyde;KNUFNLWDGZQKKJ-ONEGZZNKSA-N;DTXSID701025105;AKOS022342873;(E)-3-(3,4-Dimethoxy-phenyl)-propenal;(E)-3-(3,4-dimethoxyphenyl)acrylaldehyde;CS-0260531;(2E)-3-(3,4-Dimethoxyphenyl)-2-propenal #;EN300-1846839;EN300-7539373;trans-3-(3,4-dimethoxyphenyl)-2-propenaldehyde;Q27159234

Chemical Property of 3,4-Dimethoxy cinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Boiling Point: 336.2°Cat760mmHg
• Flash Point: 148.2°C
• PSA: 35.53000
• Density: 1.093g/cm³
• LogP: 1.91590
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxy cinnamaldehyde

There total 14 articles about 3,4-Dimethoxy cinnamaldehyde 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: 99.0%

3'-Hydroxymethyleugenol (40918-90-9,70570-23-9,18523-76-7) → 3,4-dimethoxy-cinnamaldehyde (4497-40-9)

Guidance literature:

With tert.-butylhydroperoxide; oxygen; In tetrahydrofuran; at 60 ℃; for 16h; under 750.075 Torr; Reagent/catalyst;

DOI:10.1002/cctc.201600925

Reference yield: 35.0%

1-(3,4-dimethoxyphenyl)-1,3-propanediol (76788-37-9) → 3,4-dimethoxy-cinnamaldehyde (4497-40-9) + 3,4-dimethoxy-benzaldehyde (120-14-9)

Guidance literature:

With [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(l) chloride; In acetonitrile; at 25 ℃; for 20h; under 735.576 Torr; chemoselective reaction;

DOI:10.1016/j.tetlet.2016.05.105

Reference yield: 32.0%

3'-Hydroxymethyleugenol (40918-90-9,70570-23-9,18523-76-7) + methyl 3-methoxy-1,2-dioxocyclohexa-3,5-diene-5-carboxylate (169229-45-2) → 3,4-dimethoxy-cinnamaldehyde (4497-40-9) + methyl 3,4-dihydroxy-5-methoxybenzoate (3934-86-9) + C20H22O8 + C20H22O8

Guidance literature:

In acetone; toluene; at 20 ℃; for 24h;

DOI:10.1039/d1gc03022a

upstream raw materials:

3,4-dimethoxy-benzaldehyde

acetaldehyde

1-(3,4-dimethoxyphenyl)prop-2-yn-1-ol

3'-Hydroxymethyleugenol

Downstream raw materials:

3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

veratryl acetate

3-(3,4-dimethoxyphenyl)prop-2-enyl acetate

1-(3,4-dimethoxyphenyl)-1,2-ethanediol-1,2-diacetate