3-(3-Fluorophenyl)prop-2-enal

Base Information

• Chemical Name: 3-(3-Fluorophenyl)prop-2-enal
• CAS No.: 56578-38-2
• Molecular Formula: C₉H₇FO
• Molecular Weight: 150.152
• DSSTox Substance ID: DTXSID90694811
• Mol file: 56578-38-2.mol

Synonyms:3-fluoro-cinnamaldehyde;MFCD08460294;3-(3-fluorophenyl)prop-2-enal;DTXSID90694811;DWPBUTPTXDAJJX-UHFFFAOYSA-N;BCP21643;AKOS017405115;SY212051

Chemical Property of 3-(3-Fluorophenyl)prop-2-enal

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 245.628 °C at 760 mmHg
• Flash Point: 91.327 °C
• PSA: 17.07000
• Density: 1.138 g/cm³
• LogP: 2.03780
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

98%Min ^*data from raw suppliers

(E)-3-(3-Fluorophenyl)acrylaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Fluorophenyl)prop-2-enal

There total 23 articles about 3-(3-Fluorophenyl)prop-2-enal 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: 96.0%

(E)-3-(3-fluorophenyl)prop-2-en-1-ol (125872-67-5) → (E)-3-(3-fluorophenyl)acrylaldehyde (42291-83-8,56578-38-2)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2011.12.013

Reference yield: 91.0%

3-(3-fluorophenyl)-2-propen-1-ol (26905-44-2) → 3-fluorocinnamaldehyde (56578-38-2,42291-83-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.orglett.0c00915

Reference yield: 77.0%

3-(3-fluorophenyl)propanal (245070-85-3) → (E)-3-(3-fluorophenyl)acrylaldehyde (42291-83-8,56578-38-2)

Guidance literature:

With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 20 ℃; for 4h; stereoselective reaction;

DOI:10.1007/s11426-011-4432-6

upstream raw materials:

acrylaldehyde diethyl acetal

1-Fluoro-3-iodobenzene

3-fluorobromobenzene

(E)-3-(3-fluorophenyl)prop-2-en-1-ol

Downstream raw materials:

C₁₂H₁₀FN₃O₂

(1R)-9-fluoro-1-[(4-{[(2E)-3-(3-fluorophenyl)-2-propen-1-yl]amino}-1-piperidinyl)methyl]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

C₂₅H₂₉FN₂O₃

(R)-tert-butyl 3-((2R,3S)-2-((E)-3-fluorostyryl)-4-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)azetidin-1-yl)-4-oxo-4-(((R)-1-phenylethyl)amino)butanoate

Refernces

• 1、 Zhao, Jiangui,Zheng, Xueli,Tao, Shaokun,Zhu, Yuxin,Yi, Jiwei,Tang, Songbai,Li, Ruixiang,Chen, Hua,Fu, Haiyan,Yuan, Maolin. "Selective Rhodium-Catalyzed Hydroformylation of Terminal Arylalkynes and Conjugated Enynes to (Poly)enals Enabled by a π-Acceptor Biphosphoramidite Ligand". supporting information. p. 6067 - 6072. Retrieved 2021/08/16.
• 2、 -. "Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method". Paragraph 0146-0148. . Retrieved 2021/05/29.