3-o-Cumenyl-2-methylpropionaldehyde

Base Information

• Chemical Name: 3-o-Cumenyl-2-methylpropionaldehyde
• CAS No.: 6502-20-1
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2912299000
• European Community (EC) Number: 229-383-4
• DSSTox Substance ID: DTXSID90884316
• Nikkaji Number: J225.157D
• Mol file: 6502-20-1.mol

Synonyms:3-o-Cumenyl-2-methylpropionaldehyde;6502-20-1;EINECS 229-383-4;alpha-Methyl-2-(1-methylethyl)benzenepropanal;Benzenepropanal, .alpha.-methyl-2-(1-methylethyl)-;Benzenepropanal, alpha-methyl-2-(1-methylethyl)-;SCHEMBL453540;DTXSID90884316

Chemical Property of 3-o-Cumenyl-2-methylpropionaldehyde

Chemical Property:

• Vapor Pressure: 0.0155mmHg at 25°C
• Boiling Point: 256.3°C at 760 mmHg
• Flash Point: 108°C
• PSA: 17.07000
• Density: 0.937g/cm³
• LogP: 3.18750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1CC(C)C=O

Technology Process of 3-o-Cumenyl-2-methylpropionaldehyde

There total 6 articles about 3-o-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:

(E)-3-(4-isopropylphenyl)-2-methylacrylaldehyde (93614-83-6) → 2-methyl-3-[4-(methylethyl)phenyl]propanol (4756-19-8,77897-28-0) + cyclamenaldehyde (103-95-7,80949-77-5) + α-methyl-o-isopropylhydroxycinnamaldehyde (6502-20-1) + (4-isopropylbenzaldehyde) (122-03-2)

Guidance literature:

With hydrogen; sodium carbonate; chromium(III) oxide; nickel; In ethanol; water; at 110 ℃; under 22800 Torr; Product distribution; other temperature, other solvent, other pressure, other catalysts;

Reference yield:

Isopropylbenzene (98-82-8) + methallylidene diacetate (10476-95-6) → cyclamenaldehyde (103-95-7,80949-77-5) + α-methyl-o-isopropylhydroxycinnamaldehyde (6502-20-1)

Guidance literature:

Isopropylbenzene; methallylidene diacetate; With titanium tetrachloride; at -10 ℃; for 4.5h;

With potassium hydroxide; In methanol; water; Reagent/catalyst; Temperature; Time; Overall yield = 88 %; regioselective reaction;

DOI:10.3184/174751915X14408762827272

Reference yield:

Isopropylbenzene (98-82-8) + 2-methyl-3,3-bis-propionyloxy-propene → cyclamenaldehyde (103-95-7,80949-77-5) + α-methyl-o-isopropylhydroxycinnamaldehyde (6502-20-1)

Guidance literature:

Isopropylbenzene; 2-methyl-3,3-bis-propionyloxy-propene; at 0 ℃; for 0.166667h;

With trifluorormethanesulfonic acid; titanium tetrachloride; at 0 ℃; for 5.08333h;

With hydrogenchloride; sodium hydroxide; In methanol; water; at 30 ℃; for 3h; Concentration; Temperature;

upstream raw materials:

α-methyl-p-isopropylcinnamaldehyde

(E)-3-(4-isopropylphenyl)-2-methylacrylaldehyde

2-methylpropenal

Isopropylbenzene