Atropaldehyde

Base Information

• Chemical Name: Atropaldehyde
• CAS No.: 4432-63-7
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 2912299000
• Mol file: 4432-63-7.mol

Synonyms:Atropaldehyde(7CI,8CI);2-Phenyl-2-propenal;2-Phenylpropenal;a-Phenylacrolein;

Chemical Property of Atropaldehyde

Chemical Property:

• Melting Point: 38-40oC
• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 86.5 °C
• PSA: 17.07000
• Density: 0.996 g/cm³
• LogP: 1.89870

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Atropaldehyde

There total 49 articles about Atropaldehyde 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: 86.0%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 2-methyl-2-phenyloxirane (2085-88-3) + 2-phenylacrolein (4432-63-7) + 3-hydroxy-2-phenylpropene (6006-81-1)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 20 ℃; for 6h; Product distribution; Mechanism;

DOI:10.1021/jo971226w

Reference yield: 83.0%

carbon monoxide (201230-82-2) + phenylacetylene (536-74-3) → 2-phenylacrolein (4432-63-7) + 3-phenyl-propenal (104-55-2)

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; Catalytic behavior;

Reference yield: 74.0%

2-phenylacrylaldehyde diethyl acetal (80234-04-4) → 2-phenylacrolein (4432-63-7)

Guidance literature:

With formic acid; In water; at 0 - 20 ℃; for 0.666667h;

DOI:10.1055/a-1322-3916

upstream raw materials:

formaldehyd

phenylacetaldehyde

2-(1-phenylvinyl)-1,3-dioxolane

1-Phenyl-2-propen-1-ol

Downstream raw materials:

2-phenylpropanamide

3-hydroxy-2-phenylpropene

4-(dioxolan-2-yl)-2-methyl-2-nitro-4-phenylbutane

5-phenylhexa-1,5-dien-3-ol

Refernces

• 1、 Dieckhaus, Christine M.,Roller, Shane G.,Santos, Webster L.,Sofia, R. Duane,Macdonald, Timothy L.. "Role of glutathione S-transferases A1-1, M1-1, and P1-1 in the detoxification of 2-phenylpropenal, a reactive felbamate metabolite". . p. 511 - 516. Retrieved 2001.
• 2、 Zhang, Li. "Modular Synthesis of α-Substituted Alkenyl Acetals by a Palladium-Catalyzed Suzuki Reaction of α-Haloalkenyl Acetals with Organoboranes". supporting information. p. 723 - 727. Retrieved 2021/02/26.
• 3、 Zhu, Quan,Luo, Yunsong,Guo, Yongyan,Zhang, Yushun,Tao, Yunhai. "Saegusa Oxidation of Enol Ethers at Extremely Low Pd-Catalyst Loadings under Ligand-free and Aqueous Conditions: Insight into the Pd(II)/Cu(II)-Catalyst System". . p. 5463 - 5476. Retrieved 2021/05/05.