4-Isopropylcinnamaldehyde

Base Information

• Chemical Name: 4-Isopropylcinnamaldehyde
• CAS No.: 6975-24-2
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• European Community (EC) Number: 230-230-9
• NSC Number: 22284
• Nikkaji Number: J266.033D
• Mol file: 6975-24-2.mol

Synonyms:4-ISOPROPYLCINNAMALDEHYDE;86604-05-9;6975-24-2;(E)-3-(4-propan-2-ylphenyl)prop-2-enal;p-Isopropylcinnamaldehyde;3-(4-Isopropylphenyl)acrylaldehyde;EINECS 230-230-9;2-Propenal, 3-(4-(1-methylethyl)phenyl)-;NSC22284;SCHEMBL2349983;SCHEMBL2833821;MHGRIUPTPRZPJP-ONEGZZNKSA-N;NSC 22284;NSC-22284;3-[4-(1-Methylethyl)phenyl]propenal;AKOS006229128;(E)-3-(4-Isopropylphenyl)acrylaldehyde;3-[4-(propan-2-yl)phenyl]prop-2-enal;CS-0349885;EN300-1859292

Chemical Property of 4-Isopropylcinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.00253mmHg at 25°C
• Boiling Point: 287.1°C at 760 mmHg
• Flash Point: 111.3°C
• PSA: 17.07000
• Density: 0.979g/cm³
• LogP: 3.02210
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropylcinnamaldehyde

There total 2 articles about 4-Isopropylcinnamaldehyde 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: 78.0%

→ p-isopropylcinnamaldehyde (6975-24-2)

Guidance literature:

With dicarbonyl(acetylacotonato)rhodium(I); hydrogen; 2,2'-bis((bis(5-methoxy-1H-indol-1-yl)phosphaneyl)oxy)-1,1'-biphenyl; In toluene; at 30 ℃; for 8h; under 3000.3 Torr;

Reference yield:

(triphenylphosphoranylidene)acetaldehyde (2136-75-6) + (4-isopropylbenzaldehyde) (122-03-2) → p-isopropylcinnamaldehyde (6975-24-2)

Guidance literature:

DOI:10.1002/anie.201007144

Reference yield: 87.0%

methanol (67-56-1) + p-isopropylcinnamaldehyde (6975-24-2) → methyl (R)-3-(4-isopropylphenyl)-3-hydroxypropanoate

Guidance literature:

With 2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; C₂₇H₂₉F₃N₂O₅SSi; potassium carbonate; In diethyl ether; at -10 ℃; for 36h; enantioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02736

upstream raw materials:

(triphenylphosphoranylidene)acetaldehyde

(4-isopropylbenzaldehyde)

Downstream raw materials:

(4aS,5R,6S,10bS)-6-(2-(4-bromophenyl)-2-oxoethyl)-5-(4-isopropylphenyl)-2-p-tolyl-4a,5,6,10b-tetrahydro-4H-benzo[f]isochromen-4-one

(E)-N-(tert-butyl)-4-(4-isopropylphenyl)-2-oxobut-3-enamide

(S)-3-(4-isopropylphenyl)pentan-1-ol

(S)-3-(4-isopropylphenyl)pentanal

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