123846-69-5

Basic information

• Product Name: (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile
• Synonyms: (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile;6-Chloro-3-nitro-2-pyridineacetonitrile
• CAS NO: 123846-69-5
• Molecular Formula: C7H4ClN3O2
• Molecular Weight: 198
• Mol File: 123846-69-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 120-122 °C
• Boiling Point: 339.1±37.0 °C(Predicted)
• Appearance: /
• Density: 1.489±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -5.93±0.10(Predicted)
• CAS DataBase Reference: (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile(123846-69-5)
• EPA Substance Registry System: (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile(123846-69-5)

Safety Data

• Hazardous Substances Data: 123846-69-5(Hazardous Substances Data)

Usage

General Description

-(6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile is a chemical compound with the molecular formula C7H4ClN3O2. It is a yellow solid with a molecular weight of 185.58 g/mol, and it is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. (6-Chloro-3-nitro-pyridin-2-yl)-acetonitrile is a pyridine derivative, which means it contains a six-membered ring structure with five carbon atoms and one nitrogen atom. The presence of a chloro and a nitro group on the pyridine ring makes this compound a versatile building block for the synthesis of various biologically active compounds. Its acetonitrile moiety also makes it a useful precursor in organic synthesis reactions. Additionally, it is important to handle this chemical with care, as it may be hazardous if not properly managed.

Upstream product

• 4548-45-2 2-chloro-5-nitropyridine 
• 3598-13-8 (4-chlorophenoxy)acetonitrile 
• 16013-85-7 2,6-dicholoro-3-nitropyridine 
• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 65156-94-7 5-chloro-1H-pyrrolo[3,2-b]pyridine 

Relevant articles and documents

Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: Exploration of 5-6 fused rings as alternative S1 moieties

A series of cis-1,2-diaminocyclohexane derivatives were synthesized with the aim of optimizing previously disclosed factor Xa (fXa) inhibitors. The exploration of 5-6 fused rings as alternative S1 moieties resulted in two compounds which demonstrated improved solubility and reduced food effect compared to the clinical candidate, compound A. Herein, we describe the synthesis and structure-activity relationship (SAR), together with the physicochemical properties and pharmacokinetic (PK) profiles of some prospective compounds.

Pharmaceutically active 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines

Compounds of the formula STR1 wherein one of A, B, D and E is N and the remaining three atoms are C; R1 and R2 are independently selected from hydrogen and C1 to C6 alkyl; and R3, R4, R5 and R6 are independently selected from hydrogen, halogen, hydroxy, C1 -C6 alkyl, C1 -C8 alkoxy, phenyl-C1 -C6 alkoxy, phenoxy --NR7 R8 wherein R7 and R8 are independently selected from hydrogen, C1 -C8 alkyl, C1 -C6 alkanoyl and COOR9 wherein R9 is hydrogen or C1 -C6 alkyl, cyano, COOR10 wherein R10 is hydrogen or C1 -C6 alkyl, and CONR11 R12 where R10 and R11 are independently selected from hydrogen and C1 -C6 alkyl, and the pharmaceutically acceptable salts thereof. The compounds are useful psychotherapeutics and may be used in treating obesity, depression and disorders wherein aggression is a symptom.

Synthesis of Some Nitropyridylacetonitriles

A new synthesis of nitropyridylacetonitriles 4 has been developed, using tert-butyl cyanoacetate and the corresponding chloropyridines 2.The tert-butyl esters are removed by acid-catalyzed dealkoxycarbonylation.