368426-73-7

Basic information

• Product Name: 4-(Aminomethyl)-2-fluorobenzonitrile
• Synonyms: 4-(AMINOMETHYL)-2-FLUOROBENZONITRILE;Benzonitrile, 4-(aminomethyl)-2-fluoro- (9CI);Benzonitrile, 4-(aminomethyl)-2-fluoro-
• CAS NO: 368426-73-7
• Molecular Formula: C₈H₇FN₂
• Molecular Weight: 150.15
• Product Categories: HALIDE
• Mol File: 368426-73-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 267.25 °C at 760 mmHg
• Flash Point: 115.429 °C
• Appearance: /
• Density: 1.202 g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.548
• CAS DataBase Reference: 4-(Aminomethyl)-2-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Aminomethyl)-2-fluorobenzonitrile(368426-73-7)
• EPA Substance Registry System: 4-(Aminomethyl)-2-fluorobenzonitrile(368426-73-7)

Safety Data

• Hazardous Substances Data: 368426-73-7(Hazardous Substances Data)

Usage

General Description

4-(Aminomethyl)-2-fluorobenzonitrile is a chemical compound with the molecular formula C8H7FN2. It is a nitrile derivative, which means it contains a cyano group (CN) attached to a benzene ring. 4-(Aminomethyl)-2-fluorobenzonitrile also contains an amino group (-NH2) and a fluorine atom, making it useful in organic synthesis and pharmaceutical research. 4-(Aminomethyl)-2-fluorobenzonitrile may be used as a building block in the production of various pharmaceuticals and agrochemicals due to its potential as a versatile intermediate in chemical synthesis. Additionally, it has been studied for its potential biological activity and medicinal properties.

InChI:InChI=1/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,4,10H2

Upstream product

• 85070-67-3 2-fluoro-4-methylbenzonitrile 
• 368426-76-0 4-azidomethyl-2-fluorobenzonitrile 
• 222978-03-2 4-cyano-3-fluorobenzylbromide 
• 452-74-4 4-bromo-3-fluorotoluene 
• 368426-72-6 4-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-2-fluoro-benzonitrile 

Downstream Products

• 433939-85-6 Boc-Aze-NHCH₂-Ph(3-F, 4-CN) 
• 1456615-87-4 C₁₃H₁₈FN₃O₃ 
• 368426-77-1 tert-butyl ((3-aminobenzo[d]isoxazol-6-yl)methyl)carbamate 
• 229623-55-6 4-(tert-butoxycarbonylaminomethyl)-2-fluorobenzonitrile 

Relevant articles and documents

Optimization of Novel 1-Methyl-1 H-Pyrazole-5-carboxamides Leads to High Potency Larval Development Inhibitors of the Barber's Pole Worm

A phenotypic screen of a diverse library of small molecules for inhibition of the development of larvae of the parasitic nematode Haemonchus contortus led to the identification of a 1-methyl-1H-pyrazole-5-carboxamide derivative with an IC50 of 0.29 μM. Medicinal chemistry optimization targeted modifications on the left-hand side (LHS), middle section, and right-hand side (RHS) of the scaffold in order to elucidate the structure-activity relationship (SAR). Strong SAR allowed for the iterative and directed assembly of a focus set of 64 analogues, from which compound 60 was identified as the most potent compound, inhibiting the development of the fourth larval (L4) stage with an IC50 of 0.01 μM. In contrast, only 18% inhibition of the mammary epithelial cell line MCF10A viability was observed, even at concentrations as high as 50 μM.

PHARMACEUTICAL COMBINATION

There is provided a combination product comprising: (1) a compound of claim 1 in WO 02/44145 or a compound of claim 20 in WO 02/44145 (or derivative thereof)or a pharmaceutically-acceptable derivative thereof; and (1) a compound as defined in claim 1 of WO 01/28992 or (2) a compound of Claim 34 of WO 01/28992 or (3) Compound A or B or C or D (or pharmaceutically-acceptable salts thereof) for use in treating arrhythmia or a coagulation controlled complication thereof.