3-(4-Fluorophenyl)propanal

Base Information

• Chemical Name: 3-(4-Fluorophenyl)propanal
• CAS No.: 63416-70-6
• Molecular Formula: C9H9FO
• Molecular Weight: 152.168
• Hs Code.: 2913000090
• European Community (EC) Number: 823-126-5
• DSSTox Substance ID: DTXSID80436606
• Nikkaji Number: J1.745.408K
• Wikidata: Q82251894
• Mol file: 63416-70-6.mol

Synonyms:3-(4-fluorophenyl)propanal;63416-70-6;3-(4-FLUOROPHENYL)PROPIONALDEHYDE;3-(4-FLUORO-PHENYL)-PROPIONALDEHYDE;BENZENEPROPANAL, 4-FLUORO-;3-(4-Fluorophenyl)-propionaldehyde;MFCD08064186;p-fluorodihydrocinnamaldehyde;SCHEMBL65960;3-(4-fluorophenyl)-1-propanal;DTXSID80436606;QZXPSIARJQTDNQ-UHFFFAOYSA-N;3-(4'-Fluorophenyl)propionaldehyde;CL8850;AKOS011896101;AB43536;AM84220;AS-46122;A8732;CS-0001385;FT-0647672;EN300-200172;J-510708;Z993017748

Chemical Property of 3-(4-Fluorophenyl)propanal

Chemical Property:

• Vapor Pressure: 0.211mmHg at 25°C
• Boiling Point: 208.695°C at 760 mmHg
• Flash Point: 85.096°C
• PSA: 17.07000
• Density: 1.085g/cm³
• LogP: 1.95720
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.063743068
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Fluorophenyl)propanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC=O)F

Technology Process of 3-(4-Fluorophenyl)propanal

There total 33 articles about 3-(4-Fluorophenyl)propanal 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: 100.0%

3-(4-fluorophenyl)propan-1-ol (702-15-8) → 3-(4-fluorophenyl)propanal (63416-70-6)

Guidance literature:

With Dess-Martin periodane; In dichloromethane;

DOI:10.1002/chem.201902206

Reference yield: 92.0%

para-fluorostyrene (405-99-2) + carbon monoxide (201230-82-2) → 2-(4-fluorophenyl)propionaldehyde (189445-63-4,305820-73-9,549532-50-5) + 3-(4-fluorophenyl)propanal (63416-70-6)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

Reference yield: 78.0%

trans-4-fluorocinnamaldehyde (24654-55-5,51791-26-5,213617-57-3) → 3-(4-fluorophenyl)propanal (63416-70-6) + (E)-3-(4-fluorophenyl)-2-propen-1-ol (124980-95-6)

Guidance literature:

trans-4-fluorocinnamaldehyde; With diethoxymethylane; Rh<(S,S)-Phebox-i-Pr>(OAc)2(aq); In toluene; at 60 ℃;

With potassium fluoride; tetrabutyl ammonium fluoride; In tetrahydrofuran; methanol; toluene; Further stages.;

DOI:10.1055/s-2006-951551

upstream raw materials:

ethyl 3-(4-fluorophenyl)propanoate

para-fluorostyrene

carbon monoxide

3-(4-fluorophenyl)propan-1-ol

Downstream raw materials:

C₁₀H₁₃FN₄

rac-2-amino-4-(4-fluorophenyl)butanoic acid

rac-2-hydroxy-4-(4-fluorophenyl)butanoic acid

(R)-2-hydroxy-4-(4-fluorophenyl)butanoic acid

Refernces

• 1、 You, Yiming,Wu, Jiayue,Yang, Lixin,Wu, Tao. "Nickel-catalyzed reductive defluorination of iodo allylic: Gem -difluorides: Allenyl monofluoride synthesis". supporting information. p. 1970 - 1973. Retrieved 2022/02/19.
• 2、 Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel. "Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis". supporting information. p. 2140 - 2147. Retrieved 2021/03/06.