3-(2-Fluorophenyl)propionaldehyde

Base Information

• Chemical Name: 3-(2-Fluorophenyl)propionaldehyde
• CAS No.: 175143-93-8
• Molecular Formula: C9H9 F O
• Molecular Weight: 152.168
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID60471015
• Nikkaji Number: J3.220.692A
• Wikidata: Q82299405
• Mol file: 175143-93-8.mol

Synonyms:3-(2-Fluorophenyl)propionaldehyde;175143-93-8;3-(2-fluorophenyl)propanal;3-(2-FLUORO-PHENYL)-PROPIONALDEHYDE;BENZENEPROPANAL, 2-FLUORO-;SCHEMBL2556909;3-(2-fluorophenyl)-1-propanal;BENZENEPROPANAL,2-FLUORO-;DTXSID60471015;RZURDERFVOUZFX-UHFFFAOYSA-N;3-(2-Fluorophenyl)-propionaldehyde;CL8848;MFCD09028588;AKOS011897926;AB49232;AM84219;AS-46121;A3872;FT-0649471;EN300-1840629;J-510513;Z993017602

Chemical Property of 3-(2-Fluorophenyl)propionaldehyde

Chemical Property:

• Vapor Pressure: 0.269mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 204.06°C at 760 mmHg
• Flash Point: 83.949°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: 125

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Fluorophenyl)propionaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Fluorophenyl)propionaldehyde

There total 11 articles about 3-(2-Fluorophenyl)propionaldehyde 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: 95.0%

carbon monoxide (201230-82-2) + 2-fluorostyrene (394-46-7) → 2-(2'-fluorophenyl)propanal (914080-20-9,189445-62-3) + 3-(2-fluorophenyl)propanal (175143-93-8)

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: 60.0%

3-(2-fluorophenyl)propan-1-ol (76727-24-7) → 3-(2-fluorophenyl)propanal (175143-93-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1021/ol301874x

Reference yield:

carbon monoxide (201230-82-2) + 2-fluorostyrene (394-46-7) → (R)-2-(2-fluorophenyl)propanal + 3-(2-fluorophenyl)propanal (175143-93-8)

Guidance literature:

With hydrogen; acetylacetonatodicarbonylrhodium(l); (R,S)-Ph₂P-binaphthyl-cyclic binaphthylphosphoramidite; In benzene; at 60 ℃; for 24h; under 15200 Torr;

DOI:10.1021/ja057065s

upstream raw materials:

carbon monoxide

2-fluorostyrene

3-(2-fluorophenyl)propan-1-ol

2-fluorocinnamic acid

Downstream raw materials:

γ-(o-Fluorphenyl)propylaminoguanidin

(R)-4-(2-fluorobenzyl)cyclohex-2-enone

(R)-2-(2-fluorobenzyl)-5-oxohexanal

1-(but-3-en-1-yl)-2-fluorobenzene

Refernces

• 1、 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.
• 2、 Ananthnag, Guddekoppa S.,Mondal, Dipanjan,Mague, Joel T.,Balakrishna, Maravanji S.. "Synthesis of tetra-pincer nickel(ii) and palladium(ii) complexes of resorcin[4]arene-octophosphinite [Res(OPR2)8] and rhodium-catalyzed regioselective hydroformylation reaction". . p. 14632 - 14641. Retrieved 2019/10/16.