4-Allylbenzaldehyde

Base Information

• Chemical Name: 4-Allylbenzaldehyde
• CAS No.: 77785-94-5
• Molecular Formula: C10H10 O
• Molecular Weight: 146.189
• Hs Code.: 2912299000
• European Community (EC) Number: 864-825-5
• DSSTox Substance ID: DTXSID70535056
• Nikkaji Number: J2.972.904B
• Wikidata: Q82409145
• Mol file: 77785-94-5.mol

Synonyms:4-Allylbenzaldehyde;4-prop-2-enylbenzaldehyde;77785-94-5;Benzaldehyde,4-(2-propen-1-yl)-;4-(PROP-2-EN-1-YL)BENZALDEHYDE;4-(2-propenyl)benzaldehyde;SCHEMBL676468;DTXSID70535056;VBZGCBZCEGCNPR-UHFFFAOYSA-N;CS-0531130;EN300-698343;Z1511744017

Chemical Property of 4-Allylbenzaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 2.22760
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

4-Allylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=C(C=C1)C=O

Technology Process of 4-Allylbenzaldehyde

There total 16 articles about 4-Allylbenzaldehyde 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: 89.0%

4-formylphenylboronic acid, (87199-17-5) + allyl alcohol (107-18-6) → 4-(2-propenyl)benzaldehyde (77785-94-5)

Guidance literature:

With triphenyl phosphite; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In 1,4-dioxane; at 100 ℃; for 3h;

DOI:10.1002/ejoc.200400621

Reference yield: 85.0%

[4-(prop-2-enyloxy)phenyl]methanediol diacetate → 4-(2-propenyl)benzaldehyde (77785-94-5)

Guidance literature:

With silica phosphoric acid; In methanol; at 20 ℃; for 1.16667h;

DOI:10.1080/00397910903398650

Reference yield: 81.0%

2-(4-allylphenyl)-5,5-dimethyl-1,3-dioxane (307537-99-1) → 4-(2-propenyl)benzaldehyde (77785-94-5)

Guidance literature:

With water; trifluoroacetic acid; In dichloromethane; for 18h;

DOI:10.1021/jo049439q

upstream raw materials:

orthoformic acid triethyl ester

allyl iodid

benzaldehyde

4-formylphenylboronic acid,

Downstream raw materials:

4-allylbenzonitrile

4-prop-2-enylbenzyl alcohol

(E)-4-(4-methyl-4-nitro-5-oxo-5-phenylpent-1-en-1-yl)benzaldehyde

(1E,2S)-4-(3-(2-acetyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-1-en-1-yl)benzaldehyde

Refernces

• 1、 Paul, Caroline E.,Rajagopalan, Aashrita,Lavandera, Ivan,Gotor-Fernandez, Vicente,Kroutil, Wolfgang,Gotor, Vicente. "Expanding the regioselective enzymatic repertoire: Oxidative mono-cleavage of dialkenes catalyzed by Trametes hirsuta". supporting information; experimental part. p. 3303 - 3305. Retrieved 2012/04/23.
• 2、 Zhang, Fuyi,Liu, Hong,Zhang, Qing-Ju,Zhao, Yu-Fen,Yang, Feng-Ling. "Silica phosphoric acid: An efficient and recyclable catalyst for the solvent-free synthesis of acylals and their deprotection in MeOH". experimental part. p. 3240 - 3250. Retrieved 2010/12/24.