2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-

Base Information

• Chemical Name: 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
• CAS No.: 458-36-6
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID8075047
• Wikidata: Q5161074,Q103818483
• Mol file: 458-36-6.mol

Synonyms:2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-;trans-Ferulaldehyde;SCHEMBL2506066;DTXSID8075047;E-Coniferyl aldehyde;trans-Coniferaldehyde;trans-Coniferyl aldehyde;AKOS028109880;3-(4-hydroxy-3-methoxy-phenyl)-propenal;FT-0694916;Q5161074

Chemical Property of 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 4.88E-05mmHg at 25°C
• Melting Point: 80-82 °C(lit.)
• Refractive Index: 1.65635
• Boiling Point: 338.8 °C at 760 mmHg
• PKA: 9.65±0.31(Predicted)
• Flash Point: 136.8 °C
• PSA: 46.53000
• Density: 1.186 g/cm³
• LogP: 1.61290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

4-Hydroxy-3-methoxycinnamaldehyde 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC=O)O
• Uses: 4-Hydroxy-3-methoxycinnamaldehyde is suitable for use in a study to investigate the antioxidant and antiradical activities of ferulates using a β-carotene-linoleate model system and a DPPH radical scavenging assay, respectively.

Technology Process of 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-

There total 48 articles about 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)- 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: 94.6%

4-allylguaiacol (97-53-0) → trans-coniferyl aldehyde (458-36-6) + coniferal alcohol (458-35-5,32811-40-8,69056-21-9)

Guidance literature:

With potassium phosphate buffer; nonane; Byssochlamus fulva V₁₀₇; In water; for 36h; pH=7.0;

DOI:10.1271/bbb.63.1141

Reference yield: 91.0%

coniferol (458-35-5) → coniferaldehyde (20649-42-7,458-36-6)

Guidance literature:

With MoO₂Cl₂(DMSO)2; dimethyl sulfoxide; for 0.166667h; Microwave irradiation;

DOI:10.1002/cssc.201800598

Reference yield: 86.0%

4-acetoxy-3-methoxycinnamaldehyde (65401-83-4) → coniferaldehyde (20649-42-7,458-36-6)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; at 20 ℃; for 12h;

upstream raw materials:

(E)-3-[3-methoxy-4-(methoxymethoxy)phenyl]acrylaldehyde

coniferol

3-methoxy-4-methoxymethoxy-benzaldehyde

3, 4-dihydroxylcinnamaldehyde

Downstream raw materials:

vanillin

1-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-propane-1,3-disulfonic acid

(E)-2-methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate

Acetic acid 2-methoxy-4-(1-methoxysulfonyl-ethyl)-phenyl ester

Refernces

• 1、 Hati, Santanu,Hu, Qi,Huo, Zhiguang,Lu, Junxuan,Xing, Chengguo. "In vivo Structure-Activity Relationship of Dihydromethysticin in Reducing Nicotine-Derived Nitrosamine Ketone (NNK)-Induced Lung DNA Damage against Lung Carcinogenesis in A/J Mice". . . Retrieved 2022/03/08.
• 2、 -. "Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method". Paragraph 0163; 0164. . Retrieved 2021/05/29.