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3-(3-furyl)-3-oxopropanenitrile, commonly referred to as furfuryl 3-oxopropanenitrile, is a chemical compound characterized by the molecular formula C7H5NO2. It is a nitrile derivative of furfural, a naturally occurring compound found in a variety of plants and utilized in the synthesis of an array of chemical products. 3-(3-furyl)-3-oxopropanenitrile serves as a crucial building block in organic synthesis, particularly for the production of pharmaceuticals and agrochemicals. Furfuryl 3-oxopropanenitrile is recognized for its distinct furan odor, and it is classified as a potential irritant to the skin, eyes, and respiratory system. Moreover, it is acknowledged as a known carcinogen and mutagen, necessitating stringent handling and safety measures during its use.

96220-13-2

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96220-13-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(3-furyl)-3-oxopropanenitrile is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(3-furyl)-3-oxopropanenitrile is employed as a precursor for the production of agrochemicals. Its role in the synthesis of pesticides and other agricultural chemicals aids in enhancing crop protection and productivity.
Used in Organic Synthesis:
3-(3-furyl)-3-oxopropanenitrile is used as a versatile building block in organic synthesis for the creation of a wide range of chemical products. Its reactivity and functional groups make it suitable for various chemical reactions, leading to the formation of diverse compounds with different applications across industries.

Check Digit Verification of cas no

The CAS Registry Mumber 96220-13-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,6,2,2 and 0 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 96220-13:
(7*9)+(6*6)+(5*2)+(4*2)+(3*0)+(2*1)+(1*3)=122
122 % 10 = 2
So 96220-13-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H5NO2/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5H,1H2

96220-13-2SDS

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-(furan-3-yl)-3-oxopropanenitrile

1.2 Other means of identification

Product number -
Other names furyloxopropanenitrile

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:96220-13-2 SDS

96220-13-2Relevant academic research and scientific papers

A Pd-catalyzed asymmetric allylic substitution cascade: Via an asymmetric desymmetrization for the synthesis of bicyclic dihydrofurans

Xu, Kai,Liu, Hao,Hou, Yilin,Shen, Jiefeng,Liu, Delong,Zhang, Wanbin

, p. 13295 - 13298 (2019)

A Pd-catalyzed asymmetric allylic substitution cascade of allylic meso-dicarbonates with 3-oxo-nitriles has been developed for the synthesis of chiral bicyclic dihydrofurans bearing two vicinal carbon stereocenters. The reaction proceeds via an asymmetric desymmetrization process with the desired products being obtained in high yields and with up to 97% ee. The reaction was performed on a gram-scale and the corresponding bicyclic dihydrofurans could undergo several transformations. The methodology provides an efficient synthetic route to biologically active chiral bicyclic dihydrofurans derivatives.

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