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CAS

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269726-50-3

1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 269726-50-3 Structure

  • Basic information

    1. Product Name: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-
    2. Synonyms: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-
    3. CAS NO:269726-50-3
    4. Molecular Formula: C12H13N3
    5. Molecular Weight: 199.25172
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 269726-50-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 354.0±22.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.08±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 3.06±0.30(Predicted)
    10. CAS DataBase Reference: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-(269726-50-3)
    12. EPA Substance Registry System: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-(269726-50-3)

  • 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: 269726-50-3(Hazardous Substances Data)

269726-50-3 Usage

Pyridine derivative

The compound is derived from pyridine, a six-membered aromatic heterocyclic compound.

Carbonitrile group

The compound contains a carbonitrile group (CN), a functional group consisting of a carbon atom triple-bonded to a nitrogen atom.

tert-Butyl substituent

The compound has a tert-butyl group (C(CH3)3) attached to the pyridine ring, which is a type of alkyl group.

Highly important intermediate

The compound is a crucial intermediate in the synthesis of various pharmaceutical compounds and agrochemicals.

Potential applications in medicinal chemistry and drug discovery

The compound has the ability to modulate biological targets, making it useful in the development of new drugs and other bioactive molecules.

Versatile building block

The unique structure and reactivity of the compound make it a valuable component in the development of novel drug candidates.

Check Digit Verification of cas no

The CAS Registry Mumber 269726-50-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,6,9,7,2 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 269726-50:
(8*2)+(7*6)+(6*9)+(5*7)+(4*2)+(3*6)+(2*5)+(1*0)=183
183 % 10 = 3
So 269726-50-3 is a valid CAS Registry Number.

269726-50-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Methyl-2-propanyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 1-(TERT-BUTYL)-3,5-DIIODO-2-METHOXYBENZENE

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:269726-50-3 SDS

269726-50-3Relevant articles and documents

Acrosin structure-based design, synthesis and biological activities of 7-azaindol derivatives as new acrosin inhibitors

Jiang, Jun Hang,Liu, Xue Fei,Zhen, Can Hui,Zhou, You Jun,Zhu, Ju,Lv, Jia Guo,Sheng, Chun Quan

, p. 272 - 275 (2012/01/14)

A series of 7-azaindol derivatives were designed based on the homologous 3D model of human acrosin. These compounds were synthesized and evaluated for their human acrosin inhibitory activities in vitro. Compounds 7a, 7i, 7j, 7k and 7n showed highly inhibitory activity against human acrosin. The three-dimensional structure-activity relationship was investigated through a CoMFA model, which provided valuable information to further study of potential human acrosin inhibitors.

A practical synthesis of 7-azaindolylcarboxy-endo-tropanamide (DF 1012)

Allegretti, Marcello,Anacardio, Roberto,Cesta, M. Candida,Curti, Roberto,Mantovanini, Marco,Nano, Giuseppe,Topai, Alessandra,Zampella, Giuseppe

, p. 209 - 213 (2013/09/05)

An optimised cost-effective synthesis of the new antitussive drug, DF1012, is herewith reported. The new synthetic route to the key intermediate DF1005 is based on the unusual deprotection step of the 1-tert-butyl-3-cyano-7-azaindole intermediate, which can also be regarded as a convenient way for the industrial production of the expensive 7-azaindole 1. The second key intermediate, endo-tropanamine 6, was obtained in high yield by a novel one-pot stereoselective process using a Pd-catalysed reductive amination procedure.

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