3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE

Base Information

• Chemical Name: 3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE
• CAS No.: 20401-88-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2912499000
• European Community (EC) Number: 686-908-3
• DSSTox Substance ID: DTXSID60456100
• Nikkaji Number: J337.943D
• Wikidata: Q72517904
• Mol file: 20401-88-1.mol

Synonyms:Hydrocinnamaldehyde,p-methoxy- (6CI,7CI,8CI);3-(4-Methoxyphenyl)propanal;3-(4-Methoxyphenyl)propional;3-(4-Methoxyphenyl)propionaldehyde;3-(p-Methoxyphenyl)propanal;3-(p-Methoxyphenyl)propionaldehyde;4-Methoxyhydrocinnamaldehyde;b-(p-Methoxyphenyl)propionaldehyde;

Chemical Property of 3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Refractive Index: n20/D 1.529
• Boiling Point: 252.727 °C at 760 mmHg
• Flash Point: 104.509 °C
• PSA: 26.30000
• Density: 1.025 g/cm³
• LogP: 1.82670
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC=O
• Uses: 3-(4-methoxyphenyl)propanal is a useful reactant/reagent for organic reactions and synthesis.

Technology Process of 3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE

There total 92 articles about 3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE 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-(p-methoxyphenyl)-1-propanol (5406-18-8) → 3-(4-methoxyphenyl)propional (20401-88-1)

Guidance literature:

With oxalyl dichloride; triethylamine; In dichloromethane; dimethyl sulfoxide; at -78 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ja303054c

Reference yield: 98.0%

4-methoxy-trans-cinnamaldehyde (24680-50-0,71277-11-7,1963-36-6) → 3-(4-methoxyphenyl)propional (20401-88-1)

Guidance literature:

4-methoxy-trans-cinnamaldehyde; With diethoxymethylane; Rh(t-Bu-Phebox)(OAc)2(aq); In toluene; at 60 ℃;

With potassium fluoride; tetrabutyl ammonium fluoride; In tetrahydrofuran; methanol; toluene; Further stages.;

DOI:10.1055/s-2006-951551

Reference yield: 92.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-(4-methoxyphenyl)propional (20401-88-1) + (R)-2-phenylpropanal (93-53-8)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; (R,R)-1,2-bis(2,5-diphenylphospholanyl)ethane; In toluene; at 80 ℃; for 10h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c5ob00378d

upstream raw materials:

3-(4-methoxyphenyl)propionitrile

3-(4-methoxyphenyl)propionyl chloride

Acetic acid (E)-3-(4-methoxy-phenyl)-propenyl ester

4-Methoxystyrene

Downstream raw materials:

3-(4-methoxy-phenyl)-propionaldehyde-semicarbazone

DL-2-amino-4-(p-methoxyphenyl)butanoic acid

C₁₁H₁₆N₄O

3-(p-methoxyphenyl)propanal dimethylacetal