136927-64-5

Basic information

• Product Name: 1-CHLOROH-PYRROLO[1,2-A]PYRAZINE
• Synonyms: 1-CHLOROH-PYRROLO[1,2-A]PYRAZINE;1-Chloropyrrolo[1,2-a]pyrazine;1-Chloro-1H-pyrrolo[1,2-a]pyrazine;1-Chloro-1H-pyrrolo[1,2-a...;Pyrrolo[1,2-a]pyrazine, 1-chloro-
• CAS NO: 136927-64-5
• Molecular Formula: C₇H₅ClN₂
• Molecular Weight: 152.583
• Mol File: 136927-64-5.mol

Chemical Properties

• Appearance: /
• Density: 1.35
• Refractive Index: 1.653
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -1.25±0.30(Predicted)
• CAS DataBase Reference: 1-CHLOROH-PYRROLO[1,2-A]PYRAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLOROH-PYRROLO[1,2-A]PYRAZINE(136927-64-5)
• EPA Substance Registry System: 1-CHLOROH-PYRROLO[1,2-A]PYRAZINE(136927-64-5)

Safety Data

• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 136927-64-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-CHLOROH-PYRROLO[1,2-A]PYRAZINE is used as a key intermediate in the synthesis of pharmaceutical drugs for its potential to create diverse functional groups and structural modifications. Its unique chemical properties, including the presence of a chlorine atom, contribute to the development of new and effective therapeutic agents.
Used in Agricultural Industry:
1-CHLOROH-PYRROLO[1,2-A]PYRAZINE is utilized as a building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its reactivity and structural versatility allow for the creation of compounds with specific target pest or weed control properties, enhancing crop protection and yield.
Used in Organic Synthesis:
1-CHLOROH-PYRROLO[1,2-A]PYRAZINE is employed as a versatile intermediate in organic synthesis for its ability to form various functional groups and structural modifications. This allows chemists to explore new chemical reactions and synthesize a wide range of compounds with potential applications in different industries, including materials science, chemical engineering, and environmental science.

InChI:InChI=1/C7H5ClN2/c8-7-6-2-1-4-10(6)5-3-9-7/h1-5H

Upstream product

• 136927-63-4 pyrrolo[1,2-a]pyrazin-1(2H)-one 
• 124-38-9 carbon dioxide 

Downstream Products

• 918340-62-2 2-chloro-5-(pyrrolo[1,2-a]pyrazin-1-ylamino)-phenol 
• 1613021-62-7 N-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidin-3-yl-1-(4-fluorophenyl)pyrazole-3-carboxamide 
• 1613023-30-5 C₂₄H₂₃FN₆O₃ 
• 1613021-42-3 1-(4-chlorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidin-3-yl]pyrazole-3-carboxamide 
• 1613021-11-6 C₂₂H₂₀N₆O 
• 1613021-80-9 (S)-5-(4-fluorophenyl)-N-(1-(pyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl)pyrimidine-2-carboxamide 
• 1613021-61-6 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidine-3-carboxylic acid 
• 1613021-49-0 1-(4-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidin-3-yl]pyrazole-3-carboxamide 
• 1613021-45-6 N-[(3S)-3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide 
• 1613021-43-4 1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-yl-pyrrolidin-3-yl]pyrazole-3-carboxamide 
• 1613021-12-7 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide trifluoroacetate salt 

Relevant articles and documents

COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER

The present invention relates to compounds according to the formula I: Where Ra is H or an optionally OH-substituted C1-C3 alkyl; R1 is OR1, an optionally substituted C4-12 carbocyclic group which may be saturated or unsaturated (including aromatic) or an optionally substituted heterocyclic group; R1 is an optionally substituted C1-C14 hydrocarbyl group or an optionally substituted heterocyclic group;; R2 , R3 and R4 are each independently H, an optionally substituted C1-C4 alkyl group (preferably CH3, CH2CH3 or CF3), halogen (preferably F, Cl, Br), OR, CN, NO2, a C1-C6 thioether, a C1-C6 thioester group, an optionally substituted CO2R group, an optionally substituted COR group or an optionally substituted OCOR group (preferably R4 is H); R is H or an optionally substituted C1-C6 alkyl group; RHET is an optionally substituted heterocyclic group; and pharmaceutically acceptable salts, solvates or polymorphs thereof.

FEP-guided selection of bicyclic heterocycles in lead optimization for non-nucleoside inhibitors of HIV-1 reverse transcriptase

Monte Carlo simulations using free energy perturbation theory have been used to guide the selection of bicyclic heterocycles in the lead optimization of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Good correlation is found between predicted and observed activities. Six compounds are reported with EC50 values below 20 nM for protection of human MT-2 cells against the cytopathogenicity of HIV-1. Striking variation in activity is found and analyzed for an isomeric pyrrolopyrimidine and pyrrolopyrazine pair. Copyright