2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-

Base Information

• Chemical Name: 2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-
• CAS No.: 831-97-0
• Deprecated CAS: 62169-23-7
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• Hs Code.: 2912299000
• European Community (EC) Number: 212-613-2
• DSSTox Substance ID: DTXSID2061197
• Nikkaji Number: J195.098C,J3.514.616D
• Mol file: 831-97-0.mol

Synonyms:831-97-0;2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-;4-Isopropyl-alpha-methylcinnamaldehyde;EINECS 212-613-2;(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enal;3-(4-Isopropylphenyl)-2-methylacrylaldehyde;2-Propenal, 2-methyl-3-(4-(1-methylethyl)phenyl)-;4 - isopropyl - a - methylcinnamaldehyde;Cinnamaldehyde, p-isopropyl-.alpha.-methyl-;DTXSID2061197;2-Methyl-3-(4-isopropylphenyl)propenal;3-(4-isopropylphenyl)-2-methylprop-2-enal;J3.514.616D;(E)-2-Methyl-3-(4-isopropylphenyl)-2-propene-1-al

Chemical Property of 2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-

Chemical Property:

• Vapor Pressure: 0.00138mmHg at 25°C
• Boiling Point: 297.1°Cat760mmHg
• Flash Point: 119.4°C
• PSA: 17.07000
• Density: 0.969g/cm³
• LogP: 3.41220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

(2Z)-3-(4-Isopropylphenyl)-2-methylacrylaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C=C(C)C=O
• Isomeric SMILES: CC(C)C1=CC=C(C=C1)/C=C(\C)/C=O

Technology Process of 2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-

There total 6 articles about 2-Propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]- 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: 63.0%

propionaldehyde (123-38-6) + (4-isopropylbenzaldehyde) (122-03-2) → α-methyl-p-isopropylcinnamaldehyde (831-97-0)

Guidance literature:

With pyrrolidine; In neat (no solvent); at 120 ℃; for 0.25h; Microwave irradiation;

DOI:10.1039/c3ra00114h

Reference yield: 57.0%

Isopropylbenzene (98-82-8) + isobutyraldehyde (78-84-2) → α-methyl-p-isopropylcinnamaldehyde (831-97-0)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; 3-amino propanoic acid; at 20 - 60 ℃; for 24.16h; Sealed tube;

Reference yield:

propionaldehyde (123-38-6) + (4-isopropylbenzaldehyde) (122-03-2) → α-methyl-p-isopropylcinnamaldehyde (831-97-0) + 2,4-dimethyl-3-hydroxy-5-(4-isopropylphenyl)pent-4-enal + 2,4-dimethyl-5-(4-isopropylphenyl)pent-2,4-dienal

Guidance literature:

With sodium methylate; In methanol; at 25 ℃; for 3h; Solvent; Reagent/catalyst;

DOI:10.1007/s11164-015-1948-y

upstream raw materials:

propionaldehyde

(4-isopropylbenzaldehyde)

Isopropylbenzene

isobutyraldehyde

Downstream raw materials:

2,5-dimethyl-6-(p-isopropylphenyl)pyridine

3t-(4-isopropyl-phenyl)-2-methyl-allyl alcohol

2-methyl-3-[4-(methylethyl)phenyl]propanol

cyclamenaldehyde

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、 Limnios, Dimitris,Kokotos, Christoforos G.. "Microwave-assisted organocatalytic cross-aldol condensation of aldehydes". . p. 4496 - 4499. Retrieved 2013/05/09.