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4,4-Difluoro-3-oxobutanenitrile, also known as difluoroketobutyronitrile, is a colorless liquid chemical compound with a pungent odor. It is recognized for its versatility as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. 4,4-Difluoro-3-oxobutanenitrile is notable for its strong nucleophilic properties, which make it useful in a variety of chemical reactions. However, due to its flammable nature and potential hazards upon inhalation or ingestion, it requires careful handling.

1261289-79-5

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1261289-79-5 Usage

Uses

Used in Pharmaceutical Industry:
4,4-Difluoro-3-oxobutanenitrile is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its ability to participate in a range of chemical reactions allows for the creation of diverse medicinal agents, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 4,4-Difluoro-3-oxobutanenitrile serves as a crucial building block for the synthesis of various agrochemicals. Its reactivity and nucleophilic nature facilitate the production of compounds that can be used in pest control and crop protection, thereby supporting agricultural productivity and food security.
Used in Organic Synthesis:
4,4-Difluoro-3-oxobutanenitrile is utilized as a versatile intermediate in organic synthesis for creating a wide array of chemical compounds. Its strong nucleophilic properties make it an asset in reactions that require the formation of new chemical bonds, leading to the production of novel molecules with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1261289-79-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,1,2,8 and 9 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1261289-79:
(9*1)+(8*2)+(7*6)+(6*1)+(5*2)+(4*8)+(3*9)+(2*7)+(1*9)=165
165 % 10 = 5
So 1261289-79-5 is a valid CAS Registry Number.

1261289-79-5SDS

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 4,4-Difluoro-3-oxobutanenitrile

1.2 Other means of identification

Product number -
Other names -

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:1261289-79-5 SDS

1261289-79-5Downstream Products

1261289-79-5Relevant academic research and scientific papers

Synthesis and Biological Activity of Novel Pyrazol-5-yl-benzamide Derivatives as Potential Succinate Dehydrogenase Inhibitors

Wang, Wei,Wang, Jianhua,Wu, Furan,Zhou, Huan,Xu, Dan,Xu, Gong

, p. 5746 - 5754 (2021/05/26)

To promote the discovery and development of new fungicides, a series of novel pyrazol-5-yl-benzamide derivatives were designed, synthesized by hopping and inversion of amide groups of pyrazole-4-carboxamides, and evaluated for their antifungal activities. The bioassay data revealed that compound 5IIc exhibited an excellent in vitro activity against Sclerotinia sclerotiorum with an EC50 value of 0.20 mg/L, close to that of commercial fungicide Fluxapyroxad (EC50 = 0.12 mg/L) and Boscalid (EC50 = 0.11 mg/L). For Valsa mali, compound 5IIc (EC50 = 3.68 mg/L) showed a significantly higher activity than Fluxapyroxad (EC50 = 12.67 mg/L) and Boscalid (EC50 = 14.83 mg/L). In addition, in vivo experiments proved that compound 5IIc has an excellent protective fungicidal activity with an inhibitory rate of 97.1% against S. sclerotiorum at 50 mg/L, while the positive control Fluxapyroxad showed a 98.6% inhibitory effect. The molecular docking simulation revealed that compound 5IIc interact with TRP173, SER39, and ARG43 of succinate dehydrogenase (SDH) through a hydrogen bond and p-πinteraction, which could explain the probable mechanism of the action between compound 5IIc and target protein. Also, the SDH enzymatic inhibition assay was carried out to further validate its mode of action. These results demonstrate that compound 5IIc could be a promising fungicide candidate and provide a valuable reference for further investigation.

CYCLIC COMPOUNDS AND METHODS OF USING SAME

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Page/Page column 397; 403, (2021/07/02)

The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof which are MALT1 inhibitors. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases, such as cancer, autoimmune disorders, and inflammatory disorders.

AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES

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Paragraph 0191; 0192, (2018/02/28)

Compounds are provided that act as potent antagonists of the CCR(9) receptor for treating Sjogren's syndrome. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions.

PYRAZOLOPYRIMIDINE DERIVATIVES

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Page/Page column 122, (2017/11/10)

The present invention covers Pyrazolopyrimidine compounds of general formula (I), in which n, o, X, Y, R, Q, R1, R2, R3 and R4 are as defined herein, methods of preparing said compounds, intermediate compounds u

SERINE/THREONINE PAK1 INHIBITORS

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Page/Page column 100-101, (2013/03/26)

Compounds having the formula I wherein A, Z, R1a, R1b, R2, R3, R4, R5, R6, R7, R9, R10, Ra, Rb and n are as defined herein are inhibitors of PAK1. Also disclosed are compositions and methods for treating cancer and hyperproliferative disorders.

AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES

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Paragraph 0194; 0195, (2013/09/12)

Compounds are provided that act as potent antagonists of the CCR(9) receptor. Animal testing demonstrates that these compounds are useful for treating inflammation, a hallmark disease for CCR(9). The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR(9)-mediated diseases, and as controls in assays for the identification of CCR(9) antagonists.

INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF

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Page/Page column 44, (2011/02/24)

This invention relates to novel 4-(indazol-5-yl)-4,7-dihydroisoxazolo[5,4-b]pyridine derivatives having protein tyrosine kinase inhibitory activity, to a process for the manufacture thereof and to the use thereof for the treatment of c-Met-mediated diseas

FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF

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Page/Page column 40, (2011/04/26)

The present invention relates to novel fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives having protein tyrosine kinase inhibitory activity, to a process for the manufacture thereof and to the use thereof for

FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF

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Page/Page column 34, (2011/06/26)

The present invention relates to novel, fluoro-substituted 2-aryl-3,5-dicyano-4-(1H-indazol-5-yl)-6- methyl-l,4-dihydropyridine derivatives having protein tyrosine kinase inhibitory activity, to a process for the manufacture thereof and to the use thereof

AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE

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Page/Page column 190-191, (2011/08/04)

Provided herein are pyrrolotriazine compounds for treatment of Aurora kinase mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

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