218301-22-5

Basic information

• Product Name: 2-FLUORO-5-FORMYLBENZONITRILE
• Synonyms: 10014 2-FLUORO-5-FORMYL BENZONITRILE;6002 2-FLUORO-5-FORMYL BENZONITRILE;4-Fluoro-3-cyanobenzaldehyde;2-Fluoro-5-formylbenzonitrile 97%;2-Fluor-5-formylbenzonitrile;3-cyano-4-flluorobenzaldehyde;Benzonitrile, 2-fluoro-5-formyl-;CYANOFLUOROBENZALDEHYDE-3-4
• CAS NO: 218301-22-5
• Molecular Formula: C₈H₄FNO
• Molecular Weight: 149.12
• Product Categories: Aldehydes;Phenyls & Phenyl-Het;Benzaldehyde;Phenyls & Phenyl-Het;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;HALIDE;ALDEHYDE;Aromatic Nitriles
• Mol File: 218301-22-5.mol

Chemical Properties

• Melting Point: 80-84 °C(lit.)
• Boiling Point: 215.603 °C at 760 mmHg
• Flash Point: 84.194 °C
• Appearance: /
• Density: 1.26 g/cm³
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Chloroform, Methanol
• CAS DataBase Reference: 2-FLUORO-5-FORMYLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUORO-5-FORMYLBENZONITRILE(218301-22-5)
• EPA Substance Registry System: 2-FLUORO-5-FORMYLBENZONITRILE(218301-22-5)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 218301-22-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Fluoro-5-formylbenzonitrile is used as a key intermediate in the preparation of heterocyclic compounds, specifically as PARP inhibitors for medical use. These PARP inhibitors play a crucial role in the treatment of various types of cancer by targeting and disrupting the DNA repair mechanisms in cancer cells, thereby enhancing the effectiveness of chemotherapy and radiation therapy.
Used in Chemical Synthesis:
In the field of chemical synthesis, 2-Fluoro-5-formylbenzonitrile may be utilized in the synthesis of 3-cyano-4-fluorobenzyl bromide. 2-FLUORO-5-FORMYLBENZONITRILE serves as an important building block for the development of various pharmaceuticals, agrochemicals, and other specialty chemicals, highlighting the versatility of 2-Fluoro-5-formylbenzonitrile in different chemical applications.

InChI:InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H

Upstream product

• 920-39-8 isopropylmagnesium bromide 
• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 
• 773095-28-6 5-(1,3-dioxolan-2-yl)-2-fluorobenzonitrile 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 218301-21-4 2-fluoro-5-bis-bromomethylbenzonitrile 
• 180302-35-6 5-bromomethyl-2-fluorobenzonitrile 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 227609-85-0 2-fluoro-5-(hydroxymethyl)benzonitrile 
• 1379825-89-4 (Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrle 
• 218301-23-6 C₁₁H₁₀FNO₂ 
• 771573-09-2 5-hydroxymethyl-2-fluorobenzylamine 
• 1072947-66-0 2-(cyclopentyloxy)-5-formylbenzonitrile 
• 1086627-02-2 (E)-2-fluoro-5-(3-(2-isobutoxyphenyl)-3-oxoprop-1-enyl)benzonitrile 
• 1163141-09-0 5-formyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile 
• 943247-41-4 2-fluoro-5-vinylbenzonitrile 
• 1193501-29-9 2-azido-5-formylbenzonitrile 
• 1193501-24-4 2-{4-(2-(4-azido-3-cyanophenyl)vinyl)-3-cyano-5,5-dimethyl-5H-furan-2-ylidene}malononitrile 
• 1259956-00-7 C₁₉H₁₃N₅O 
• 1311255-52-3 3-cyano-4-(4-fluoro-piperidin-1-yl)-benzoic acid 
• 1311232-60-6 5-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(4-fluoro-piperidin-1-yl)-benzonitrile 
• 1311232-61-7 5-[3-(4-fluoro-3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(4-fluoro-piperidin-1-yl)-benzonitrile 

Relevant articles and documents

Novel indazole derivatives, and use thereof

The present invention refers to novel indazole derivatives, or pharmaceutically acceptable salts; and including DYRK1A DYRK1B active ingredient (Dual non-specificity tyrosine phosphorylation in a non-regulated kinase 1a) or a pharmaceutical composition for preventing or treating related disorders are disclosed. (by machine translation)

FeCl3·6H2O/acetaldehyde, a versatile system for the deprotection of ketals and acetals via a transacetalization process

Mild and efficient catalytic deprotection of ketals/acetals mediated by FeCl3·6H2O/acetaldehyde has been described in this paper. The versatility and high chemoselectivity of the iron(iii)/aldehyde system are demonstrated by a large scope of examples. Deprotected ketones/aldehydes are nearly quantitatively isolated after filtration over a pad of silica gel followed by evaporation of volatile by-products.

HETEROCYCLIC DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF

Disclosed are heterocyclic derivatives, methods for making them, compositions containing the same and uses thereof. Particularly, their pharmaceutical use as inhibitors of PARP is disclosed.

HETEROCYCLIC DERIVATES，PREPARATION PROCESSES AND MEDICAL USES THEREOF

Disclosed are heterocyclic derivatives, methods for making them, compositions containing the same and uses thereof. Particularly, their pharmaceutical use as inhibitors of PARP is disclosed.

NOVEL OXADIAZOLE COMPOUNDS

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Azido push-pull fluorogens photoactivate to produce bright fluorescent labels

Dark azido push-pull chromophores have the ability to be photoactivated to produce bright fluorescent labels suitable for single-molecule imaging. Upon illumination, the aryl azide functionality in the fluorogens participates in a photochemical conversion to an aryl amine, thus restoring charge-transfer absorption and fluorescence. Previously, we reported that one compound, DCDHF-V-P-azide, was photoactivatable. Here, we demonstrate that the azide-to-amine photoactivation process is generally applicable to a variety of push-pull chromophores, and we characterize the photophysical parameters including photoconversion quantum yield, photostability, and turn-on ratio. Azido push-pull fluorogens provide a new class of photoactivatable singlemolecule probes for fluorescent labeling and super-resolution microscopy. Lastly, we demonstrate that photoactivated push-pull dyes can insert into bonds of nearby biomolecules, simultaneously forming a covalent bond and becoming fluorescent (fluorogenic photoaffinity labeling).

An unusual reaction of benzalaminoacetals in trifluoroacetic acid: Facile synthesis of 2-benzylpyrazines

(Chemical Equation Presented) Benzalaminoacetals (1), upon refluxing with trifluoroacetic acid, lead to 2-benzylpyrazines, rather than the expected isoquinolines. This unusual reaction represents another useful way to prepare a variety of 2-benzylpyrazines from the corresponding benzaldehydes.

OXYTOCIN INHIBITORS

This invention relates to compounds of formula (I).

Potassium channel openers

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Guanidine mimics as factor Xa inhibitors

The present application describes nitrogen containing heteroaromatics and derivatives thereof of formula I: or pharmaceutically acceptable salt forms thereof, wherein rings D—E represent guanidine mimics, which are useful as inhibitors of factor Xa.