3,4-Dimethoxy cinnamaldehyde

Base Information

• Chemical Name: 3,4-Dimethoxy cinnamaldehyde
• CAS No.: 58045-88-8
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• 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: 58045-88-8.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:

• 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:

99% ^*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 39 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: 90.0%

(E)-3',4'-dimethoxycinnamyl alcohol (18523-76-7) → 3,4-dimethoxycinnamaldehyde (58045-88-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2004.03.043

Reference yield: 82.0%

3-(3,4-dimethoxyphenyl)-1-propanol (3929-47-3) → 3,4-dimethoxycinnamaldehyde (58045-88-8)

Guidance literature:

With (S)-diphenylprolinol; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; acetonitrile; at 20 ℃; for 24h; stereoselective reaction;

DOI:10.1039/c5cc10093c

Reference yield: 80.0%

acrylaldehyde diethyl acetal (3054-95-3) + 1-iodo-3,4-dimethoxybenzene (5460-32-2) → 3,4-dimethoxycinnamaldehyde (58045-88-8)

Guidance literature:

With tetrabutylammonium acetate; palladium diacetate; potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 4h;

DOI:10.1016/j.ejmech.2016.03.043

upstream raw materials:

3,4-dimethoxy-benzaldehyde

acetaldehyde

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

(E)-3',4'-dimethoxycinnamyl alcohol

Downstream raw materials:

3,4-Dimethoxycinnamaldehyde diethyl acetal

8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione