3-(p-Cumenyl)-2-methylpropionaldehyde

Base Information

• Chemical Name: 3-(p-Cumenyl)-2-methylpropionaldehyde
• CAS No.: 6658-48-6
• Deprecated CAS: 245726-10-7
• Molecular Formula: C₁₄H₂₀O
• Molecular Weight: 204.312
• European Community (EC) Number: 229-695-0
• DSSTox Substance ID: DTXSID4052346
• Nikkaji Number: J298.050I
• Mol file: 6658-48-6.mol

Synonyms:6658-48-6;3-(4-isobutylphenyl)-2-methylpropanal;3-(p-Cumenyl)-2-methylpropionaldehyde;EINECS 229-695-0;2-methyl-3-[4-(2-methylpropyl)phenyl]propanal;P-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDE;Benzenepropanal, alpha-methyl-4-(2-methylpropyl)-;Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-;Benzenepropanal, ?-methyl-4-(2-methylpropyl)-;SCHEMBL225582;DTXSID4052346;AMY11260;p-isobutyl-alpha-methyl hydrocinnamaldehyde;Bencenpropanal, ?-metil-4-(2-metilpropil)-;FT-0691912;Benzenepropanal,a-methyl-4-(2-methylpropyl)-;alpha-methyl-4-(2-methylpropyl)benzenepropanal;Benzenepropanal, a-methyl-4-(2-methylpropyl)-;Hydrocinnamaldehyde, p-isobutyl-.alpha.-methyl-;4-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDE;3 - (p - cumenyl) - 2 - methylpropionaldehyde;alpha-methyl-3-(4-isobutyl-phenyl)-propionaldehyde

Chemical Property of 3-(p-Cumenyl)-2-methylpropionaldehyde

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0028mmHg at 25°C
• Boiling Point: 285.4 °C at 760 mmHg
• Flash Point: 127.5 °C
• PSA: 17.07000
• Density: 0.932 g/cm³
• LogP: 3.26260
• Water Solubility.: 2.76mg/L at 25℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)CC(C)C=O

Technology Process of 3-(p-Cumenyl)-2-methylpropionaldehyde

There total 5 articles about 3-(p-Cumenyl)-2-methylpropionaldehyde 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:

2-methyl-3-(4-isobutylphenyl)prop-2-enal → [4-(2,2-dimethylethyl)phenyl]-2-methyl propanal (6658-48-6,139477-88-6)

Guidance literature:

With hydrogen; In methanol; at 120 ℃; for 5h; under 60006 Torr; Autoclave;

DOI:10.1007/s11164-016-2782-6

Reference yield:

p-isobutyl-β-chloro-α-methyl-3-phenylpropanal → [4-(2,2-dimethylethyl)phenyl]-2-methyl propanal (6658-48-6,139477-88-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; potassium carbonate; In ethanol; at 50 - 60 ℃; under 3750.38 Torr; Sealed tube;

Reference yield:

4-(2-methyl-1-propyl)benzaldehyde (40150-98-9) → [4-(2,2-dimethylethyl)phenyl]-2-methyl propanal (6658-48-6,139477-88-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 5 h / 25 °C

2: ; hydrogen / methanol / 5 h / 120 °C / 60006 Torr / Autoclave

With hydrogen; sodium hydroxide; In methanol; water; 1: |Aldol Condensation;

DOI:10.1007/s11164-016-2782-6

upstream raw materials:

1-phenyl-2-methylpropane

4-(2-methyl-1-propyl)benzaldehyde

Refernces

• 1、 Vrbková, Eva,Vysko?ilová, Eli?ka,Rott, Martin,Zapletal, Martin,?erveny, Libor. "A synthetic route to 4-alkyl-α-methylhydrocinnamylaldehydes". . p. 2603 - 2613. Retrieved 2017/03/22.
• 2、 -. "Perfumes". . . Retrieved 2008/06/13.