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2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is a heterocyclic chemical compound characterized by a molecular formula of C11H15N. It features a pyrrole ring fused to a pyridine ring, with a tert-butyl group attached to the nitrogen atom. This versatile compound has been investigated for its potential biological activities and is recognized for its utility in organic synthesis, coordination chemistry, and pharmaceutical research for the development of novel drug molecules.

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  • 113975-42-1 Structure
  • Basic information

    1. Product Name: 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE
    2. Synonyms: 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE
    3. CAS NO:113975-42-1
    4. Molecular Formula: C11H14N2
    5. Molecular Weight: 174.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 113975-42-1.mol
  • Chemical Properties

    1. Melting Point: 201-203 °C
    2. Boiling Point: 317.8°C at 760 mmHg
    3. Flash Point: 135.5°C
    4. Appearance: /
    5. Density: 1.076g/cm3
    6. Vapor Pressure: 0.0007mmHg at 25°C
    7. Refractive Index: 1.595
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 15.39±0.40(Predicted)
    11. CAS DataBase Reference: 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE(113975-42-1)
    13. EPA Substance Registry System: 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE(113975-42-1)
  • 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: 113975-42-1(Hazardous Substances Data)

113975-42-1 Usage

Uses

Used in Organic Synthesis:
2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is used as a building block in organic synthesis for the creation of complex organic molecules. Its unique structure allows for the formation of various derivatives, contributing to the advancement of chemical libraries and the discovery of new compounds with potential applications.
Used in Coordination Chemistry:
In coordination chemistry, 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is employed as a ligand. Its ability to form stable complexes with metal ions makes it a valuable component in the design of metal-organic frameworks and coordination polymers, which have applications in catalysis, sensing, and materials science.
Used in Pharmaceutical Research:
2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is utilized in pharmaceutical research as a starting material for the development of new drug molecules. Its heterocyclic nature and potential biological activities make it a promising candidate for the design of therapeutic agents targeting various diseases and conditions.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is used as a scaffold for the development of new pharmaceutical agents. Its structural features can be modified to optimize pharmacokinetic and pharmacodynamic properties, leading to the discovery of innovative drugs with improved efficacy and safety profiles.
Used in Chemical Biology:
2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is also used in chemical biology for the study of biological processes and the development of probes and tools. Its interaction with biological targets can provide insights into the mechanisms of disease and the design of targeted therapies.
Overall, 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE is a multifaceted chemical with a wide range of applications across various scientific disciplines, from organic synthesis to pharmaceutical development, highlighting its significance in modern chemical research.

Check Digit Verification of cas no

The CAS Registry Mumber 113975-42-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,9,7 and 5 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 113975-42:
(8*1)+(7*1)+(6*3)+(5*9)+(4*7)+(3*5)+(2*4)+(1*2)=131
131 % 10 = 1
So 113975-42-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H14N2/c1-11(2,3)10-6-8-4-5-12-7-9(8)13-10/h4-7,13H,1-3H3

113975-42-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine

1.2 Other means of identification

Product number -
Other names 2-TERT-BUTYL-1H-PYRROLO[2,3-C]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:113975-42-1 SDS

113975-42-1Downstream Products

113975-42-1Relevant articles and documents

A novel one-step synthesis of 2-substituted 6-azaindoles from 3-amino-4-picoline and carboxylic esters

Song, Jinhua J.,Tan, Zhulin,Gallou, Fabrice,Xu, Jinghua,Yee, Nathan K.,Senanayake, Chris H.

, p. 6512 - 6514 (2007/10/03)

Dilithiation of 3-amino-4-picoline (1) was achieved with sec-BuLi at room temperature. Condensation of the resulting dianion (2) with carboxylic esters afforded a wide range of 2-substituted 6-azaindoles in good yields.

Metalation/SRN1 Coupling in Heterocyclic Synthesis. A Convenient Methodology for Ring Functionalization

Estel, L.,Marsais, F.,Queguiner, G.

, p. 2740 - 2744 (2007/10/02)

Lithiation, iodination, and fluorine substitution on 2-fluoropyridine gave 2-substituted 3-iodopyridines, which were further subjected to iodine SRN1 substitution by carbon, sulfur, and phosphorus nucleophiles.Iodine substitution by enolates on 2-amino-3-iodopyridines afforded ketones, which were further cyclized to various 1,2-disubstituted pyrrolopyridines. 2-Amino-3-iodo-, 3-amino-4-iodo, and 4-amino-3-iodopyridines were prepared by directed metalation of 2-, 3-, and 4-(pivaloylamino)pyridines.Substitution of iodine by enolates under SRN1 conditions and acidic cyclization led to various 2-substituted pyrrolo, --, and -pyridines in high yields.

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