p-tert-Butylcinnamaldehyde

Base Information

• Chemical Name: p-tert-Butylcinnamaldehyde
• CAS No.: 84434-23-1
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• Hs Code.: 2912299000
• European Community (EC) Number: 282-823-7
• Nikkaji Number: J297.681A,J1.768.548A
• Wikidata: Q76324399
• Mol file: 84434-23-1.mol

Synonyms:84434-23-1;p-tert-Butylcinnamaldehyde;(E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde;3-(4-tert-Butyl-phenyl)-propenal;EINECS 282-823-7;EC 282-823-7;3-(4-(tert-Butyl)phenyl)acrylaldehyde;4-tert-Butylcinnamaldehyde;3-(4-t-butylphenyl)propenal;SCHEMBL2294016;3-(4-tert-Butyl-phenyl)propenal;3-(4-tert-butylphenyl)prop-2-enal;AKOS006274227;(E)-3-(4-tert-butylphenyl)acrylaldehyde;AC-17567;3-[4-(1,1-Dimethylethyl)phenyl]propenal;CS-0349884;EN300-1866003;86604-07-1

Chemical Property of p-tert-Butylcinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.00214mmHg at 25°C
• Boiling Point: 289.9°Cat760mmHg
• Flash Point: 117.1°C
• PSA: 17.07000
• Density: 0.968g/cm³
• LogP: 3.19620
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

99.9% ^*data from raw suppliers

(E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-tert-Butylcinnamaldehyde

There total 10 articles about p-tert-Butylcinnamaldehyde 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: 74.0%

→ 3-(4-(tert-butyl)phenyl)acrylaldehyde (84434-23-1) + C13H16O

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: 69.0%

1-(tert-butyl)-4-(prop-1-en-1-yl)benzene (68175-34-8) → 3-(4-(tert-butyl)phenyl)acrylaldehyde (84434-23-1)

Guidance literature:

With tert.-butylhydroperoxide; Ru(2,4,13,15-tetraphenyl-1,5,12,16-tetraaza-tricyclo[14.2.2.06,11]eicosa-4,6⁽¹¹⁾,7,9,12-pentaene)Cl₂; In acetonitrile; at 20 ℃; for 3h; Reagent/catalyst; Irradiation;

DOI:10.1016/j.poly.2019.05.065

Reference yield:

p-tert-butylphenylpropanal (120254-49-1) → 3-(4-(tert-butyl)phenyl)acrylaldehyde (84434-23-1)

Guidance literature:

With toluene-4-sulfonic acid; In water; at 100 ℃; for 6h; Reagent/catalyst;

upstream raw materials:

4-tert-butyltoluene

acetaldehyde

acrylaldehyde diethyl acetal

1-bromo-4-tert-butylbenzene

Downstream raw materials:

methyl (1R,2S,3R,10bR)-2-(4-tert-butylphenyl)-1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-8,9-dimethoxy-3-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-3-carboxylate

(S)-methyl 3-(4-tert-butylphenyl)-4-nitrobutanoate

4-tert-Butylbenzaldehyde

4-tert-butylcinnamyl alcohol