3-(3-Hydroxyphenyl)propanal

Base Information

• Chemical Name: 3-(3-Hydroxyphenyl)propanal
• CAS No.: 26172-10-1
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID80566699
• Wikidata: Q82452439
• Mol file: 26172-10-1.mol

Synonyms:3-(3-Hydroxyphenyl)propanal;26172-10-1;3-(3-HYDROXY-PHENYL)-PROPIONALDEHYDE;Benzenepropanal, 3-hydroxy-;SCHEMBL910507;DTXSID80566699;3-(3-hydroxyphenyl)propanaldehyde;CHEBI:193677;AKOS006290309;F19734;EN300-1857904;J-510609

Chemical Property of 3-(3-Hydroxyphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Boiling Point: 278.5°C at 760 mmHg
• PKA: 9.94±0.10(Predicted)
• Flash Point: 116.5°C
• PSA: 37.30000
• Density: 1.116g/cm³
• LogP: 1.52370
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

96% ^*data from raw suppliers

3-(3-Hydroxy-phenyl)-propionaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(3-Hydroxyphenyl)propanal

There total 2 articles about 3-(3-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:

meta-hydroxybenzaldehyde (100-83-4) → 3-(3-hydroxyphenyl)propanal (26172-10-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: H₂ / Rh(PPh₃)3Cl

With sodium hydroxide; hydrogen; Wilkinson's catalyst;

DOI:10.1039/j39700000649

Reference yield:

→ 3-(3-hydroxyphenyl)propanal (26172-10-1)

Guidance literature:

Reference yield: 50.0%

3-(3-hydroxyphenyl)propanal (26172-10-1) + 3,5-di-tert-butylbenzoic acid (16225-26-6) → C24H30O3 (1399732-73-0)

Guidance literature:

3,5-di-tert-butylbenzoic acid; With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 1h;

3-(3-hydroxyphenyl)propanal; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/ja305367j

upstream raw materials:

meta-hydroxybenzaldehyde

Downstream raw materials:

C₂₄H₃₀O₃

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