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1-Piperidineacetonitrile,4-oxo-(9CI) is a chemical compound characterized by the molecular formula C8H11N2O. It features a cyclic amide structure with a piperidine ring, a nitrile functional group, and a carbonyl group at the 4-position. 1-Piperidineacetonitrile,4-oxo-(9CI) is widely recognized for its role as a versatile building block in the synthesis of pharmaceuticals and agrochemicals.

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  • 259180-65-9 Structure
  • Basic information

    1. Product Name: 1-Piperidineacetonitrile,4-oxo-(9CI)
    2. Synonyms: 1-Piperidineacetonitrile,4-oxo-(9CI);1-piperidineacetonitrile, 4-oxo-;(4-oxo-1-piperidinyl)acetonitrile(SALTDATA: FREE);4-Oxo-1-piperidineacetonitrile;2-(4-keto-1-piperidyl)acetonitrile;2-(4-oxo-1-piperidinyl)acetonitrile;2-(4-oxo-1-piperidyl)acetonitrile;2-(4-oxopiperidin-1-yl)acetonitrile
    3. CAS NO:259180-65-9
    4. Molecular Formula: C7H10N2O
    5. Molecular Weight: 138.169
    6. EINECS: N/A
    7. Product Categories: AMINETERTIARY
    8. Mol File: 259180-65-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 284.3°C at 760 mmHg
    3. Flash Point: 125.7°C
    4. Appearance: /
    5. Density: 1.105g/cm3
    6. Vapor Pressure: 0.003mmHg at 25°C
    7. Refractive Index: 1.487
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.50±0.20(Predicted)
    11. CAS DataBase Reference: 1-Piperidineacetonitrile,4-oxo-(9CI)(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-Piperidineacetonitrile,4-oxo-(9CI)(259180-65-9)
    13. EPA Substance Registry System: 1-Piperidineacetonitrile,4-oxo-(9CI)(259180-65-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 259180-65-9(Hazardous Substances Data)

259180-65-9 Usage

Uses

Used in Pharmaceutical Industry:
1-Piperidineacetonitrile,4-oxo-(9CI) is utilized as a key intermediate in the development and production of various pharmaceuticals. Its unique structure allows for the creation of a broad spectrum of medicinal compounds, contributing to the advancement of treatments for numerous diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Piperidineacetonitrile,4-oxo-(9CI) serves as a crucial component in the synthesis of pesticides and other crop protection agents. Its incorporation enhances the effectiveness of these products, promoting agricultural productivity and food security.
Used in Organic Synthesis:
1-Piperidineacetonitrile,4-oxo-(9CI) is employed as a reagent in organic synthesis, facilitating the preparation of a diverse array of organic compounds. Its presence in chemical reactions can lead to the formation of complex molecules with specific properties, broadening the scope of chemical research and innovation.
Used in Heterocyclic Compounds Synthesis:
As a starting material, 1-Piperidineacetonitrile,4-oxo-(9CI) is instrumental in the synthesis of heterocyclic compounds. These compounds are essential in various fields, including medicinal chemistry, materials science, and the development of new pharmaceutical agents.
Overall, 1-Piperidineacetonitrile,4-oxo-(9CI) is a multifaceted chemical intermediate with applications spanning across different industries, underpinning its significance in both academic research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 259180-65-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,9,1,8 and 0 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 259180-65:
(8*2)+(7*5)+(6*9)+(5*1)+(4*8)+(3*0)+(2*6)+(1*5)=159
159 % 10 = 9
So 259180-65-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H10N2O/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-6H2

259180-65-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-Oxopiperidin-1-yl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2-(4-oxopiperidin-1-yl)acetonitrile

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:259180-65-9 SDS

259180-65-9Relevant articles and documents

Heterocyclization and Spirocyclization Processes Based on Domino Reactions of N-Tosylhydrazones and Boronic Acids Involving Intramolecular Allylborylations of Nitriles

Plaza, Manuel,Parisotto, Stefano,Valdés, Carlos

supporting information, p. 14836 - 14843 (2018/09/25)

Polycyclic molecules featuring all-carbon quaternary bridgehead centers were synthesized through domino cyclizations between N-tosylhydrazones and boronic acids. Variations of the general cascade have been applied for the preparation of 3-quinuclidinones and related alkaloid-like scaffolds through transannular heterocyclizations. Moreover, the employment of 3-cyanopropyl and 4-cyanobutylboronic acids and α,β-unsaturated N-tosylhydrazones led to spirocycles through unprecedented formal [n+1] cyclizations, including the stereoselective spirocyclization of the Hajos–Parrish ketone. The common feature of all the new reactions described is the creation of an all-carbon quaternary center by formation of two Csp3?C bonds on the hydrazonic carbon atom. DFT-based calculations suggested the occurrence of cascade processes, which involve a diazo compound carboborylation followed by a 1,3-borotropic rearrangement on an intermediate allylboronic acid and a novel bora-aza-ene cyclization.

1H-imidazopyridine derivatives

-

, (2008/06/13)

1H-Imidazopyridine derivatives represented by the following general formula or salts thereof: wherein R1represents hydrogen atom, hydroxyl group, an alkyl group, a cycloalkyl group, styryl group, or an aryl group; R2represents hydrog

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