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1H-Pyrrolo[2,3-b]pyridine, 3-bromo-2-methylis a chemical compound characterized by the molecular formula C8H7BrN. It belongs to the pyrrolopyridine class of organic compounds, which are known for their fused pyrrole and pyridine rings. This particular compound is distinguished by the presence of a bromine atom at the 3-position and a methyl group at the 2-position. Its unique structural properties make it a valuable building block in the synthesis of pharmaceutical compounds and a potential candidate for applications in medicinal chemistry and drug discovery.

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  • 145934-58-3 Structure
  • Basic information

    1. Product Name: 1H-Pyrrolo[2,3-b]pyridine, 3-broMo-2-Methyl-
    2. Synonyms: 1H-Pyrrolo[2,3-b]pyridine, 3-broMo-2-Methyl-;3-BroMo-2-Methyl-1H-pyrrolo[2,3-b]pyridine
    3. CAS NO:145934-58-3
    4. Molecular Formula: C8H7BrN2
    5. Molecular Weight: 211.05858
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 145934-58-3.mol
  • Chemical Properties

    1. Melting Point: 160-161 °C
    2. Boiling Point: 343.5±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.68±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 5.95±0.40(Predicted)
    10. CAS DataBase Reference: 1H-Pyrrolo[2,3-b]pyridine, 3-broMo-2-Methyl-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Pyrrolo[2,3-b]pyridine, 3-broMo-2-Methyl-(145934-58-3)
    12. EPA Substance Registry System: 1H-Pyrrolo[2,3-b]pyridine, 3-broMo-2-Methyl-(145934-58-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 145934-58-3(Hazardous Substances Data)

145934-58-3 Usage

Uses

Used in Pharmaceutical Synthesis:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-2-methylis used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structural features allow for the development of new drugs and drug candidates with potential therapeutic applications.
Used in Medicinal Chemistry:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-2-methylserves as a valuable tool in medicinal chemistry, where it can be utilized to explore the structure-activity relationships of various drug molecules. Its presence in drug candidates can provide insights into the design and optimization of novel therapeutic agents.
Used in Drug Discovery:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-2-methylmay have applications in drug discovery, where it can be employed to identify new lead compounds with potential therapeutic effects. Its unique structural properties can contribute to the development of innovative drug molecules.
Used in Research and Development:
This chemical compound is also used in research and development for the exploration of new materials and the advancement of organic synthesis techniques. Its unique features can inspire the creation of novel chemical entities with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 145934-58-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,5,9,3 and 4 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 145934-58:
(8*1)+(7*4)+(6*5)+(5*9)+(4*3)+(3*4)+(2*5)+(1*8)=153
153 % 10 = 3
So 145934-58-3 is a valid CAS Registry Number.

145934-58-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine

1.2 Other means of identification

Product number -
Other names 3-bromo-2-methylpyrrolo[2,3-b]pyridine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:145934-58-3 SDS

145934-58-3Relevant articles and documents

PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS

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Page/Page column 217, (2021/06/26)

The present application provides a compound of formula (I) or a stereoisomer thereof, or an atropisomer thereof, or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable salt of a stereoisomer thereof, or a pharmaceutically acceptable salt of an atropisomer thereof; method for manufacturing said compound, and its therapeutic uses. The present application further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF

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Paragraph 00396, (2017/07/04)

The invention provides a novel class of compounds as inhibitors of influenza virus replication, preparation methods thereof, pharmaceutical compositions containing these compounds, and uses of these compounds and pharmaceutical compositions thereof in the treatment of influenza.

Reaction of bromomethylazoles and tosylmethyl isocyanide. A novel heterocyclization method for the synthesis of the core of marine alkaloids variolins and related azolopyrimidines

Mendiola, Javier,Baeza, Alejandro,Alvarez-Builla, Julio,Vaquero, Juan J.

, p. 4974 - 4983 (2007/10/03)

A novel and efficient synthesis of the pyrido[3′,2′:4,5] pyrrolo[1,2-c]pyrimidine system, the heterocyclic core of the variolin family of marine alkaloids, is described. The route involves the reaction of 3-bromo-2-(bromomethyl)pyrrolo[2,3-b]pyridine and tosylmethyl isocyanide (TosMIC) under phase-transfer conditions. This unprecedented reaction was also used to synthesize a series of new methoxycarbonyl azolopyrimidines by reaction of TosMIC with bromomethylindoles, bromomethylbenzimidazole, and bromomethylpyrazole. Hydrolysis and decarboxylation of 5-bromo-7- methoxycarbonylpyrido[3′,2′:4,5]pyrrolo[1,2-c]pyrimidine obtained by this heterocyclization process and installation of the pyrimidine moiety in the C5 position open an alternative approach to complete a total synthesis of variolin B.

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