159326-66-6

Basic information

• Product Name: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI)
• Synonyms: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI);1-AMINO-2-CYANOPYRROLE;1-Aminopyrrole-2-carbonitrile;1-aMino-1h-pyrrole-2-carbonitrile hcl
• CAS NO: 159326-66-6
• Molecular Formula: C₅H₅N₃
• Molecular Weight: 107.12
• Product Categories: VARIOUSAMINE
• Mol File: 159326-66-6.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 297.429 °C at 760 mmHg
• Flash Point: 133.681 °C
• Appearance: /
• Density: 1.21
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.613
• PKA: -4.62±0.70(Predicted)
• CAS DataBase Reference: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI)(159326-66-6)
• EPA Substance Registry System: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI)(159326-66-6)

Safety Data

• Hazardous Substances Data: 159326-66-6(Hazardous Substances Data)

Usage

General Description

1H-Pyrrole-2-carbonitrile, 1-amino-(9CI) is a chemical compound with the molecular formula C5H4N2. It is a derivative of pyrrole, a five-membered aromatic ring with one nitrogen atom. The compound contains a nitrile group and an amino group, which make it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is also used as a building block in organic synthesis to create complex molecules with diverse biological activities. The compound's structure and properties make it an important tool for medicinal chemistry and chemical research.

InChI:InChI=1/C5H5N3/c6-4-5-2-1-3-8(5)7/h1-3H,7H2

Upstream product

• 1003-29-8 2-pyrrole aldehyde 
• 4513-94-4 1H-pyrrole-2-carbonitrile 

Downstream Products

• 159326-69-9 1-aminopyrrole-2-carboxamide 
• 1561811-16-2 2-chloro-4-phenylpyrrolo[2,1-f][1,2,4]triazine 
• 1561810-95-4 N-{2-methyl-5-[(morpholinyl)methyl]phenyl}-4-({4-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)benzamide 
• 1561810-97-6 N-(2-methyl-5-(4-morpholinyl)methylphenyl)-4-(4-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-ylamino)benzamide 
• 1561811-00-4 N-(2-methyl-5-(4-morpholinylmethyl)phenyl)-4-(4-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-ylamino)benzamide 
• 1561811-30-0 5-((4-(4-(trifluoromethoxy)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl)amino)pyridine-2-carboxylic acid 
• 1561811-36-6 N-[5-(hydroxymethyl)-2-methylphenyl]-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-45-7 N-[5-(chloromethyl)-2-methylphenyl]-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-03-7 N-{2-methyl-5-[(morpholinyl)methyl]phenyl}-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-39-9 N-[3-(hydroxymethyl)phenyl]-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-48-0 N-[3-(chloromethyl)phenyl]-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-06-0 N-{3-[(morpholinyl)methyl]phenyl}-5-({4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)pyridine-2-carboxamide 
• 1561811-42-4 N-(5-(hydroxymethyl)-2-methylphenyl)-5-((4-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl)amino)pyridine-2-carboxamide 
• 1561811-51-5 N-(5-(chloromethyl)-2-methylphenyl)-5-((4-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl)amino)pyridine-2-carboxamide 

Relevant articles and documents

Expanding Access to Remdesivir via an Improved Pyrrolotriazine Synthesis: Supply Centered Synthesis

Pyrrolotriazine 1 is an important precursor to remdesivir. Initial results toward an efficient synthesis are disclosed consisting of sequential cyanation, amination, and triazine formation beginning from pyrrole. This route makes use of highly abundant, commoditized raw material inputs. The yield of triazine was doubled from 31% to 59%, and the synthetic step count was reduced from 4 to 2. These efforts help to secure the remdesivir supply chain.

Synthesis process of retegravir intermediate

The invention relates to a synthesis process of a retegravir intermediate 7-iodine-4-amido pyrrolo [2,1-F] [1, 2, 4] triazine. The method comprises the following steps: by using pyrrole as an initialraw material, carrying out aldehyde groupintroduction through phosphorus oxychloride-DMF to obtain 2-aldehyde group pyrrole; preparing a 2-cyano key intermediate through ammonium sulfate, wherein thesteps is the key step of the process; cyclizing the cyano intermediate and formamidine acetate to prepare a 4-amino intermediate; reacting with NIS and adding iodine to prepare the target compound 7-iodine-4-amido pyrrolo [2,1-F] [1, 2, 4] triazine. The whole process has the advantages of simple and easily available raw materials, simple and easy operation, and very high economic value and socialbenefit.

Synthesis method of remdesivir intermediate triazinamine derivative

The invention discloses a synthesis method of a remdesivir intermediate triazinamine derivative. The remdesivir intermediate triazinamine derivative is prepared by adopting a unique synthesis method. The invention solves the problems of expensive raw materials, large amount of wastewater in the production process and the like in existing reaction of a remdesivir intermediate triazinamine derivative, and provides the novel synthesis method of the remdesivir intermediate triazinamine derivative, wherein the synthesis method has the advantages of simple preparation method, cheap and easily available raw materials, greatly reduced production cost, less wastewater and the like; the synthesis method is never reported in the prior art, is a brand-new preparation method of the remdesivir intermediate triazinamine derivative, and provides a new synthesis idea for similar compounds of remdesivir.