3-(4-Hydroxy-3-methoxyphenyl)propanal

Base Information

• Chemical Name: 3-(4-Hydroxy-3-methoxyphenyl)propanal
• CAS No.: 80638-48-8
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• European Community (EC) Number: 279-524-9
• UNII: L47JXE0XF2
• DSSTox Substance ID: DTXSID20868588
• Nikkaji Number: J320.296H
• Wikidata: Q27282684
• Metabolomics Workbench ID: 78556
• ChEMBL ID: CHEMBL4207280
• Mol file: 80638-48-8.mol

Synonyms:4-hydroxy-3-methoxyphenylpropanal

Chemical Property of 3-(4-Hydroxy-3-methoxyphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.000391mmHg at 25°C
• Boiling Point: 307.8°Cat760mmHg
• PKA: 10.04±0.20(Predicted)
• Flash Point: 120.7°C
• PSA: 46.53000
• Density: 1.136g/cm³
• LogP: 1.53230
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

3-(4'-HYDROXY-3'-METHOXYPHENYL)-1-PROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCC=O)O

Technology Process of 3-(4-Hydroxy-3-methoxyphenyl)propanal

There total 12 articles about 3-(4-Hydroxy-3-methoxyphenyl)propanal 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: 91.0%

methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (56024-44-3) → 3-(3'-methoxy-4'-hydroxyphenyl)propionaldehyde (80638-48-8)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 8h;

DOI:10.1039/c9ob02662b

Reference yield: 73.0%

ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (61292-90-8) → 3-(3'-methoxy-4'-hydroxyphenyl)propionaldehyde (80638-48-8)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; cyclohexane; at -78 ℃; for 3.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.06.050

Reference yield: 70.0%

trans-coniferyl aldehyde (458-36-6) → 3-(3'-methoxy-4'-hydroxyphenyl)propionaldehyde (80638-48-8)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; water; at 20 ℃; for 0.833333h;

DOI:10.1016/j.tetlet.2007.09.025

upstream raw materials:

trans-coniferyl aldehyde

3-Guaiacylpropanol

coniferal alcohol

coniferaldehyde

Downstream raw materials:

4-(3-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)propyl)benzene-1,2-diol

4-(3-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)propyl)-2-methoxyphenol

(E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one

Refernces

• 1、 Hattori, Hiroyuki,Mitsunaga,Clive, Derrick L.J.. "Synthesis of phenolic components of Grains of Paradise". . p. 1989 - 1991. Retrieved 2019/07/03.
• 2、 Luo, Dan,Sharma, Horrick,Yedlapudi, Deepthi,Antonio, Tamara,Reith, Maarten E.A.,Dutta, Aloke K.. "Novel multifunctional dopamine D2/D3receptors agonists with potential neuroprotection and anti-alpha synuclein protein aggregation properties". . p. 5088 - 5102. Retrieved 2016/10/22.