3-(4-Hydroxyphenyl)propanal

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)propanal
• CAS No.: 20238-83-9
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• DSSTox Substance ID: DTXSID50474676
• Nikkaji Number: J1.334.121D
• Wikidata: Q27149713
• Mol file: 20238-83-9.mol

Synonyms:3-(4-hydroxyphenyl)propanal;20238-83-9;4-Hydroxydihydrocinnamaldehyde;3-(4-HYDROXY-PHENYL)-PROPIONALDEHYDE;BENZENEPROPANAL, 4-HYDROXY-;4-Hydroxybenzenepropanal;3-(p-Hydroxyphenyl)propanal;SCHEMBL351627;3-(4-hydroxyphenyl)-propanal;Hydrocinnamaldehyde, p-hydroxy-;CHEBI:80671;3-(4-hydroxyphenyl)-1-propanal;DTXSID50474676;3-(4-hydroxyphenyl)propanaldehyde;3-(p-Hydroxyphenyl)propionaldehyde;3-(4-hydroxyphenyl)propionaldehyde;3-(4'-Hydroxyphenyl)propionaldehyde;AKOS006230732;AB49241;DS-2947;CS-0001404;F19751;EN300-1827568;A879766;J-510717;Q27149713

Chemical Property of 3-(4-Hydroxyphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 47℃
• Refractive Index: 1.545
• Boiling Point: 132-133℃ (0.7 Torr)
• PKA: 10.00±0.15(Predicted)
• Flash Point: 115.6±13.0℃
• PSA: 37.30000
• Density: 1.116±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 1.52370
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Hydroxyphenyl)propanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC=O)O

Technology Process of 3-(4-Hydroxyphenyl)propanal

There total 29 articles about 3-(4-Hydroxyphenyl)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: 100.0%

3-(4-(benzyloxy)phenyl)propanal (68486-77-1) → dihydro-p-coumaryl aldehyde (20238-83-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 760 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)87894-7

Reference yield: 100.0%

[4-((4-(1-methyl-2-oxo-ethyl)phenoxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g → dihydro-p-coumaryl aldehyde (20238-83-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/adsc.200303053

Reference yield: 88.0%

carbon monoxide (201230-82-2) + 4-Vinylphenol (2628-17-3,24979-70-2) → dihydro-p-coumaryl aldehyde (20238-83-9) + 4-hydroxyphenylpropionaldehyde (90708-66-0)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

upstream raw materials:

3-(4-Hydroxy-phenyl)-propionaldehyd-semicarbazon

2-(2-p-hydroxyphenylethyl)-1,3-dithian

3-(4-(benzyloxy)phenyl)propanal

3-(4-hydroxyphenyl)-N-methoxy-N-methylpropanamide

Downstream raw materials:

3-(4-Hydroxy-phenyl)-propionaldehyde oxime

3-[4-(tert-butyl-dimethyl-silanyloxy)phenyl]propionaldehyde