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1H-1,2,4-Triazole-1-propanenitrile(9CI), also known as 3-(1H-1,2,4-Triazol-1-yl)propanenitrile, is an organic compound with a triazole ring and a nitrile group. It is a versatile intermediate in the synthesis of various chemical compounds and has potential applications in pharmaceutical and chemical industries.

76686-83-4

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76686-83-4 Usage

Uses

Used in Pharmaceutical Industry:
1H-1,2,4-Triazole-1-propanenitrile(9CI) is used as a reagent for the synthesis of hydroxyphenacyl azoles and related azolium derivatives, which are known for their antifungal properties. These compounds can be used in the development of new antifungal drugs to treat various fungal infections.
Used in Chemical Industry:
1H-1,2,4-Triazole-1-propanenitrile(9CI) serves as a key intermediate in the synthesis of various chemical compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and reactivity make it a valuable building block for the development of new and innovative products in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 76686-83-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,6,8 and 6 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 76686-83:
(7*7)+(6*6)+(5*6)+(4*8)+(3*6)+(2*8)+(1*3)=184
184 % 10 = 4
So 76686-83-4 is a valid CAS Registry Number.

76686-83-4SDS

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 3-(1,2,4-triazol-1-yl)propanenitrile

1.2 Other means of identification

Product number -
Other names 1,2,4-triazole-1-propanenitrile

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:76686-83-4 SDS

76686-83-4Relevant academic research and scientific papers

Non-catalytic addition of 1,2,4-triazole to nucleophilic and electrophilic alkenes

Timokhin,Golubin,Vysotskaya,Kron,Oparina,Gusarova,Trofimov

, p. 981 - 985 (2002)

Non-catalytic addition of 1,2,4-triazole to vinyl ethers and esters occurs on heating (65-175°C, 4-20 h) to give Markovnikov adducts (yield 30-100%). Electron-deficient alkenes (acrylonitrile, acrylic acid, 4-phenyl-3-buten-2-one) react with 1,2,4-triazole (78-190°C, 4-20 h) to give anti-Markovnikov adducts in yields of 45-83%.

An effective aza-michael addition of aromatic amines to electron-deficient alkenes in alkaline Al2O3

Ai, Xin,Wang, Xin,Liu, Jin-Ming,Ge, Ze-Mei,Cheng, Tie-Ming,Li, Run-Tao

experimental part, p. 5373 - 5377 (2010/08/06)

Aza-Michael addition of aromatic or aliphatic amines with various electron-deficient alkenes was performed using alkaline Al2O 3 as solid media at room temperature afforded the corresponding Michael addition products in good to excellent yields.The alkaline Al 2O3 can be easily recovered and reused.

A general design platform for ionic liquid ions based on bridged multi-heterocycles with flexible symmetry and charge

Drab, David M.,Shamshina, Julia L.,Smiglak, Marcin,Hines, C. Corey,Cordes, David B.,Rogers, Robin D.

supporting information; experimental part, p. 3544 - 3546 (2010/08/07)

A conceptual design platform for new ionic liquids with variable heterocycles, bridges, symmetry, and charge was developed using simple alkylation, click, and ionic liquid chemistries and demonstrated with 1-(2-(5-tetrazolidyl)ethyl)-3-(5-1H-tetrazolyl)methylimidazolium and its conversion into room-temperature ionic liquids as cation or as anion.

BENZOXAZOLE ACETONITRILES

-

Page/Page column 33, (2010/02/11)

The present invention is related to benzoxazole acetonitriles as well as to pharmaceutical formulations containing such benzoxazole acetonitriles pof formula (I). Said benzoxazole acetonitriles are useful in the treatment of metabolic disorders mediated b

AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS

-

Page 52-53, (2008/06/13)

The present invention is related to azole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such azole derivatives. Said azole derivatives are modulators of the protein kinase signalling pathways, particularly the one involving c-Jun N-terminal kinase and/or Glycogen Kinase Synthase 3. The present invention is furthermore related to novel azole derivatives as well as to methods of their preparation. X is O, S or NR0, with R0 being H or an unsubstituted or substituted C1 -C6 alkyl; A is 2-pyridyl, 3-pyridyl, 4-pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl or triazinyl group.

1,2,3-Benzothiadiazole derivatives

-

, (2008/06/13)

Novel 1,2,3-benzothiadiazole derivatives of the formula STR1 in which Het has the meanings set forth in the specification, and addition products thereof with an acid or metal salt are very effective for the control of undesired microorganisms. Novel intermediates of the formulae STR2 in which Het1 and R5 have the meanings given in the specification.

Michael adducts in regioselective synthesis of N-substituted azoles

Horvath

, p. 1183 - 1189 (2007/10/02)

Michael adducts of azoles (4-phenyl-, 4-methyl- and 4-nitroimidazole, 4-methylbenzimidazole, 1,2,4-triazole and theophylline) are shown to be valuable substrates for obtaining the N-substituted derivatives of the parent heterocycles by a quaternization-Hofmann elimination sequence. The effectiveness of the procedure is dependent on the regiochemical outcome of the first, N-protective step, i.e. the Michael addition. By choosing the appropriate Michael acceptor, alkylating agent and deprotection conditions, the thermodynamically less stable regioisomers of N-substituted azoles have been obtained in high yields.

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