2-Methyl-3-(p-tolyl)propionaldehyde

Base Information

• Chemical Name: 2-Methyl-3-(p-tolyl)propionaldehyde
• CAS No.: 41496-43-9
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• European Community (EC) Number: 255-410-4
• NSC Number: 22267
• UNII: 5CDC30289S
• DSSTox Substance ID: DTXSID00866047
• Nikkaji Number: J320.088D
• Wikidata: Q27261831
• Metabolomics Workbench ID: 45157
• Mol file: 41496-43-9.mol

Synonyms:41496-43-9;2-Methyl-3-(p-tolyl)propionaldehyde;2-methyl-3-(4-methylphenyl)propanal;2-Methyl-3-(p-tolyl)propanal;jasmorange;2-Methyl-3-tolylpropionaldehyde;Benzenepropanal, .alpha.,4-dimethyl-;Benzenepropanal, alpha,4-dimethyl-;UNII-5CDC30289S;FEMA No. 2748;5CDC30289S;EINECS 255-410-4;2-Methyl-3-(p-methylphenyl)propanal;NSC 22267;NSC-22267;2-methyl-3-p-tolylpropanal;Satinaldehyde;NSC22267;Jasmorange (Satinaldehyde);Benzenepropanal,4-dimethyl-;SCHEMBL227153;Benzenepropanal, ?,4-dimethyl-;DTXSID00866047;FEMA NO. 2748, P-;AKOS006228147;3-(4-METHYLPHENYL)-2-METHYLPROPANAL;FT-0703189;P,.ALPHA.-DIMETHYLHYDROCINNAMALDEHYDE;(+/-)-2-Methyl-3-(4-methylphenyl)propanal;(+/-)-2-METHYL-3-(P-TOLYL)PROPANAL;2 - methyl - 3 - (p - tolyl)propionaldehyde;HYDROCINNAMALDEHYDE, P,.ALPHA.-DIMETHYL-;2-METHYL-3-(P-TOLYL)PROPANAL, (+/-)-;Q27261831

Chemical Property of 2-Methyl-3-(p-tolyl)propionaldehyde

Chemical Property:

• Vapor Pressure: 0.0448mmHg at 25°C
• Boiling Point: 237.4°C at 760 mmHg
• Flash Point: 103.9°C
• PSA: 17.07000
• Density: 0.958g/cm³
• LogP: 2.37250
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-3-(4-METHYLPHENYL)PROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-3-(p-tolyl)propionaldehyde

There total 9 articles about 2-Methyl-3-(p-tolyl)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: 75.0%

4-tolyl iodide (624-31-7) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 2-methyl-3-(4-methylphenyl)propanal (41496-43-9)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate; In water; at 80 ℃; for 21h;

DOI:10.1081/SCC-100107017

Reference yield:

2-methyl-3-(p-tolyl)acrylaldehyde (3893-15-0) → 2-methyl-3-(4-methylphenyl)propanal (41496-43-9)

Guidance literature:

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

DOI:10.1007/s11164-016-2782-6

Reference yield:

methallylidene diacetate (10476-95-6) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-methyl-3-(4-methylphenyl)propanal (41496-43-9) + C11H14O (57918-84-0)

Guidance literature:

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

With potassium hydroxide; In methanol; water; at 20 ℃; for 1h; Overall yield = 80 %;

DOI:10.3184/174751915X14408762827272

upstream raw materials:

2-methylpropenal

toluene

4,α-Dimethyl-hydrozimtaldehyd-enolacetat

4-tolyl iodide

Downstream raw materials:

C₁₅H₁₅Cl₂NO₂S

C₂₂H₂₃NO₃

C₂₁H₂₁NO₃

C₁₈H₂₀O₂

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、 Calo, Vincenzo,Nacci, Angelo,Monopoli, Antonio,Spinelli, Michele. "Arylation of allylic alcohols in ionic liquids catalysed by a Pd-benzothiazole carbene complex". . p. 1382 - 1385. Retrieved 2007/10/03.