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4-Fluorobenzaldehyde

Base Information Edit
  • Chemical Name:4-Fluorobenzaldehyde
  • CAS No.:459-57-4
  • Deprecated CAS:2324861-00-7
  • Molecular Formula:C7H5FO
  • Molecular Weight:124.115
  • Hs Code.:29130000
  • European Community (EC) Number:207-293-6
  • NSC Number:68095
  • UNII:N8681893GA
  • DSSTox Substance ID:DTXSID0038756
  • Nikkaji Number:J30.718A
  • Wikidata:Q27284696
  • ChEMBL ID:CHEMBL3183207
  • Mol file:459-57-4.mol
4-Fluorobenzaldehyde

Synonyms:4-fluorobenzaldehyde

Suppliers and Price of 4-Fluorobenzaldehyde
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • 4-Fluorobenzaldehyde
  • 5g
  • $ 418.00
  • TRC
  • 4-Fluorobenzaldehyde
  • 5g
  • $ 55.00
  • TCI Chemical
  • 4-Fluorobenzaldehyde >98.0%(GC)
  • 250mL
  • $ 188.00
  • TCI Chemical
  • 4-Fluorobenzaldehyde >98.0%(GC)
  • 25mL
  • $ 32.00
  • SynQuest Laboratories
  • 4-Fluorobenzaldehyde 98%
  • 100 g
  • $ 17.00
  • SynQuest Laboratories
  • 4-Fluorobenzaldehyde 98%
  • 1 kg
  • $ 135.00
  • SynQuest Laboratories
  • 4-Fluorobenzaldehyde 98%
  • 250 g
  • $ 35.00
  • Sigma-Aldrich
  • 4-Fluorobenzaldehyde 98%
  • 50g
  • $ 66.80
  • Sigma-Aldrich
  • 4-Fluorobenzaldehyde 98%
  • 250g
  • $ 244.00
  • Sigma-Aldrich
  • 4-Fluorobenzaldehyde for synthesis. CAS 459-57-4, chemical formula 4-(F)C H CHO., for synthesis
  • 8185370025
  • $ 41.80
Total 220 raw suppliers
Chemical Property of 4-Fluorobenzaldehyde Edit
Chemical Property:
  • Appearance/Colour:Clear colorless to yellow liquid 
  • Vapor Pressure:3.51mmHg at 25°C 
  • Melting Point:-10 °C 
  • Refractive Index:1.5200 
  • Boiling Point:182 °C at 760 mmHg 
  • Flash Point:56.7 °C 
  • PSA:17.07000 
  • Density:1.178 g/cm3 
  • LogP:1.63820 
  • Storage Temp.:Store below +30°C. 
  • Sensitive.:Air Sensitive 
  • Solubility.:Chloroform, Methanol 
  • Water Solubility.:IMMISCIBLE 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:1
  • Exact Mass:124.032442941
  • Heavy Atom Count:9
  • Complexity:95.1
Purity/Quality:

99% *data from raw suppliers

4-Fluorobenzaldehyde *data from reagent suppliers

Safty Information:
  • Pictogram(s): FlammableF, IrritantXi 
  • Hazard Codes:Xi,F 
  • Statements: 36/37/38 
  • Safety Statements: 26-36-37/39-36/37/39-27 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC(=CC=C1C=O)F
  • Uses 4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutic al compounds. Usually used in the preparation of pyrazolopyridine UR-13756. 4-Fluorobenzaldehyde is used in the preparation of pyrazolopyridine derivative, which finds application as mitogen-activated protein kinase (MAPK) inhibitor. It also serves as a synthetic intermediate in the preparation of pharmaceutical compounds.
Technology Process of 4-Fluorobenzaldehyde

There total 211 articles about 4-Fluorobenzaldehyde 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:
Guidance literature:
With per-rhenic acid; In toluene; for 17h; Reflux;
DOI:10.1016/j.tetlet.2012.08.145
Guidance literature:
With 1,10-Phenanthroline; copper(II) chloride dihydrate; oxygen; In acetonitrile; for 24h; under 760.051 Torr; Reflux;
DOI:10.1021/acs.joc.5b01670
Guidance literature:
With dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 5h; under 760.051 Torr;
DOI:10.1007/s10562-011-0668-1
Refernces Edit

A rationally designed cocatalyst for the Morita-Baylis-Hillman reaction

10.1016/j.tetlet.2008.05.037

The study presents a rational design of bis(thiourea) cocatalysts to accelerate the Morita–Baylis–Hillman (MBH) reaction, a C–C bond forming reaction known for its sluggishness. By applying electronic structure calculations, the researchers identified key transition states and designed catalysts that could stabilize these states through hydrogen bond recognition of both nucleophile and electrophile. The cocatalysts were synthesized and tested, demonstrating significant acceleration of the MBH reaction between cyclohexenone and 4-fluorobenzaldehyde. The study shows that the designed cocatalysts, particularly one with an o-xylyl bridge, were much more effective than the previously reported bis(thiourea) cocatalyst, nearly tripling the reaction rate. The findings underscore the potential of computational methods in designing organic catalysts that utilize hydrogen bonding for enhanced reactivity.

Total synthesis of cavicularin and riccardin C: Addressing the synthesis of an arene that adopts a boat configuration

10.1002/anie.200500466

The study presents the first total synthesis of cavicularin (1), a complex natural product derived from the liverwort Cavicularia densa, which features a strained macrocyclic core with a unique boat-like configuration of one of its arenes. The synthesis involved a radical-induced transannular ring contraction as a key step. Key chemicals used in the study include isovanillin (protected as a dioxolane acetal), 4-fluorobenzaldehyde, sodium borohydride, CBr4/PPh3, neopentyl glycol, DCC, the Herrmann catalyst, DIBALH, and various other reagents for coupling, cyclization, and protection/deprotection steps. These chemicals served to construct and modify the AD and BC ring systems, facilitate cyclization, and ultimately achieve the macrocyclic structure of cavicularin. The study also transformed the macrocyclic precursor into riccardin C, completing the shortest synthesis of this natural product to date.

Ultrasound effect on the synthesis of 4-alkyl-(aryl)aminobenzaldehydes

10.1016/S0040-4020(01)00403-3

The research investigates the sonochemical nucleophilic aromatic substitution reactions on 4-fluorobenzaldehyde with various azacycloalkanes and azoles. The study's purpose was to examine the potential beneficial effects of ultrasound on these reactions, with the aim of improving reaction conditions compared to traditional methods. The conclusions drawn from the research indicate that the application of ultrasonic irradiation significantly enhances the reactions, reducing the reaction time from 5 hours to 15 minutes and increasing the product yields by 15-30%.

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