p-Methylcinnamaldehyde

Base Information

• Chemical Name: p-Methylcinnamaldehyde
• CAS No.: 1504-75-2
• Molecular Formula: C10H10 O
• Molecular Weight: 146.189
• Hs Code.: 2912299000
• European Community (EC) Number: 604-741-6,663-256-8
• UNII: 9006RI7I1E
• DSSTox Substance ID: DTXSID60862681
• Nikkaji Number: J1.264.949E,J533.506J
• Wikidata: Q27271258
• Metabolomics Workbench ID: 43951
• Mol file: 1504-75-2.mol

Synonyms:(E)-3-(p-Tolyl)acrylaldehyde;56578-35-9;p-Methylcinnamaldehyde;1504-75-2;3-(p-Tolyl)acrylaldehyde;4-Methylcinnamaldehyde;2-Propenal, 3-(4-methylphenyl)-;3-P-Tolylpropenal;3-(4-Methylphenyl)-2-propenal;(E)-3-(4-methylphenyl)prop-2-enal;FEMA No. 3640;Cinnamaldehyde, p-methyl-;3-(P-Methylphenyl)propenal;p-methyl cinnamaldehyde;3-p-Tolylprop-2-enal;Methylcinnamaldehyde, p-;2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E);(2E)-3-(4-methylphenyl)prop-2-enal;UNII-9006RI7I1E;2-Propenal, 3-(4-methylphenyl)-, (2E)-;9006RI7I1E;(2E)-3-(4-Methylphenyl)-2-propenal;3-p-tolylacrylaldehyde;3-(4-methylphenyl)prop-2-enal;3-p-Tolylacrolein;3-(p-Tolyl)propenal;p-Methyl-Cinnamaldehyde;2-Propenal,3-(4-methylphenyl)-,(2E)-;p-Methylcinnamaldehyde, 8CI;(E)-3-p-Tolylacrylaldehyde;SCHEMBL566332;p-methyl hydrocinnamic aldehyde;(E)-3-(p-tolyl)-acrylaldehyde;FEMA 3640;DTXSID60862681;CHEBI:173613;trans-4-Methylcinnamaldehyde, 90%;MFCD08460295;(E)-3-(4-methylphenyl)acrylaldehyde;(E)-3-(4-Methylphenyl)-2-propenal;AKOS006290470;P-METHYL CINNAMALDEHYDE [FHFI];AM85821;CS-W005010;NCGC00170999-01;AS-30840;BS-15463;(2E)-3-(4-Methylphenyl)-2-propenal #;CS-0369179;PK04_096271;2-PROPENAL,3-(4-METHYLPHENYL)-,(2E);EN300-1246750;A869899;J-501957;Q27271258;(E)-3-(4-Methylphenyl)acrolein;(E)-4-Methylcinnamaldehyde;(E)-p-Methylcinnamaldehyde;trans-4-Methylcinnamaldehyde;trans-p-Methylcinnamaldehyde

Chemical Property of p-Methylcinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.00856mmHg at 25°C
• Melting Point: 41.5°C
• Refractive Index: 1.5876 (estimate)
• Boiling Point: 266.6°Cat760mmHg
• Flash Point: 94.3°C
• PSA: 17.07000
• Density: 1.015g/cm³
• LogP: 2.20710
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

3-(p-Tolyl)acrylaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Methylcinnamaldehyde

There total 37 articles about p-Methylcinnamaldehyde 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: 99.0%

4-methylcinnamyl alcohol (122058-30-4,1504-62-7) → 3-(4-methylphenyl)acrylaldehyde (1504-75-2)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 80 ℃; for 18h; Catalytic behavior;

DOI:10.1021/jacs.7b05018

Reference yield: 93.0%

4-tolyl iodide (624-31-7) + C12H15NO (1204348-43-5) → 3-(4-methylphenyl)acrylaldehyde (1504-75-2)

Guidance literature:

With tetrabutylammomium bromide; sodium acetate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 120 ℃; for 4h; in air;

DOI:10.1039/b917782e

Reference yield: 91.0%

3-(4-methylphenyl)propionaldehyde (5406-12-2) → 3-(4-methylphenyl)acrylaldehyde (1504-75-2)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; tert.-butylnitrite; oxygen; toluene-4-sulfonic acid; 1,3,5-trimethyl-benzene; In tert-butyl alcohol; at 25 ℃; for 9h; under 760.051 Torr;

DOI:10.1021/acscatal.7b01008

upstream raw materials:

4-methyl-benzaldehyde

acetaldehyde

4-methylcinnamyl alcohol

3-phenoxy-propenal

Downstream raw materials:

1,5-di-p-tolyl-penta-2,4-dien-1-one

4-methyl-trans-cinnamaldehyde-semicarbazone

4-methylcinnamyl alcohol

p-methylcinnamaldehyde diethyl acetal

Refernces

• 1、 -. "Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method". Paragraph 0126-0131. . Retrieved 2021/05/29.
• 2、 ?otolová, Martina,Kamlar, Martin,Reme?, Marek,Géant, Pierre-Yves,Císa?ová, Ivana,?tícha, Martin,Vesely, Jan. "Enantioselective Organocatalytic Synthesis of 1,2,3-Trisubstituted Cyclopentanes". . p. 5080 - 5089. Retrieved 2021/09/30.