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2-Amino-cyclohex-1-enecarbonitrile, also known as 2-Aminocyclohex-1-enecarbonitrile, is a chemical compound characterized by the molecular formula C7H10N2. It is a cyclic compound featuring a carbon-carbon double bond, a nitrile group, and an amino group attached to the ring. This unique structure and reactivity make 2-Amino-cyclohex-1-enecarbonitrile a valuable intermediate in organic synthesis and medicinal chemistry.

15595-71-8

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15595-71-8 Usage

Uses

Used in Organic Synthesis:
2-Amino-cyclohex-1-enecarbonitrile is used as a building block in organic synthesis for its ability to form various complex organic compounds. Its versatile reactivity allows for the creation of a wide range of chemical products.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-Amino-cyclohex-1-enecarbonitrile is utilized as a key intermediate in the production of pharmaceuticals. Its unique structure contributes to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
2-Amino-cyclohex-1-enecarbonitrile also finds application in the agrochemical industry, where it serves as a precursor in the synthesis of various agrochemicals, contributing to the development of effective crop protection agents.
Used in Drug Discovery and Development:
Due to its potential biological activities, 2-Amino-cyclohex-1-enecarbonitrile is an interesting target for drug discovery and development. Researchers explore its properties to identify new therapeutic agents and improve existing treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 15595-71-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,5,9 and 5 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 15595-71:
(7*1)+(6*5)+(5*5)+(4*9)+(3*5)+(2*7)+(1*1)=128
128 % 10 = 8
So 15595-71-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4,9H2

15595-71-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-aminocyclohexene-1-carbonitrile

1.2 Other means of identification

Product number -
Other names 2-Amino-cyclohex-1-encarbonitril

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:15595-71-8 SDS

15595-71-8Relevant academic research and scientific papers

Catalytic Reductive Synthesis and Direct Derivatization of Unprotected Aminoindoles, Aminopyrroles, and Iminoindolines

Leijendekker, Leonardus H.,Weweler, Jens,Leuther, Tobias M.,Streuff, Jan

supporting information, p. 6103 - 6106 (2017/05/22)

A titanium(III)-catalyzed radical cyclization to unprotected 3-aminoindoles, 3-aminopyrroles, or 3-iminoindolines is reported. The reaction is non-hazardous, scalable, and allows facile isolation of the free products by extraction. The method is demonstrated on a large substrate scope and it further allows the direct installation of various nitrogen protecting groups or the synthesis of building blocks for peptide chemistry in a single sequence. Fused bisindoles can be directly accessed from the cyclization products.

Copper-catalyzed oxidative ring closure of ortho-cyanoanilides with hypervalent iodonium salts: Arylation-ring closure approach to iminobenzoxazines

Aradi, Klra,Novk, Zoltn

supporting information, p. 371 - 376 (2015/03/05)

A novel, highly modular synthetic methodology with high functional group tolerance was developed for the construction of iminobenzoxazine derivatives from ortho-cyanoanilides and diaryliodonium triflates via an oxidative arylation-cyclization path. The reaction is supposed to involve the formation of highly active aryl-copper(III) species. In this novel transformation, copper(II) triflate was used as catalyst in 1,2-dichloroethane or ethyl acetate and the reaction takes place at 75 °C in 2-16 h.

Diverse tandem cyclization reactions of o -cyanoanilines and diaryliodonium salts with copper catalyst for the construction of quinazolinimine and acridine scaffolds

Pang, Xinlong,Chen, Chao,Su, Xiang,Li, Ming,Wen, Lirong

supporting information, p. 6228 - 6231 (2015/01/09)

Two cyclization modes are realized to produce different nitrogen-containing heterocycles, i.e.; quinazolin-4(3H)-imines and acridines by assembling o-cyanoanilines and diaryliodonium salts via tandem reaction pathways.

INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF

-

Page/Page column 34, (2014/03/26)

A compound of Formula (I) is provided that has been shown to be useful for treating a disease, disorder or syndrome that is mediated by the transportation of essential molecules in the mmpL3 pathway: (I) wherein R1, R2, R3, R4, R5 and R6 are as defined herein.

Rhodium-catalyzed asymmetric hydrogenation of β-acetylamino acrylonitriles

Ma, Miaofeng,Hou, Guohua,Wang, Junru,Zhang, Xumu

experimental part, p. 506 - 511 (2011/06/17)

The rhodium-catalyzed asymmetric hydrogenation of β-acetylamino acrylonitriles was investigated by using monophosphine and bisphosphine ligands. It was found that an Rh-QuinoxP complex exhibited high enantioselectivities for β-aryl substituted β-acetylamino acrylonitriles and the Rh-JosiPhos CyPF-t-Bu complex was proven to be effective for the hydrogenation of tetrasubstituted olefins from cyclic β-acetylamino acrylonitriles.

MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH

-

Page/Page column 59, (2009/01/20)

The present invention provides screening methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors as well as modifiers capable of modulating chemosensory receptors and their ligands.

Synthesis and microbial transformation of β-amino nitriles

Winkler, Margit,Martínková, Ludmila,Knall, Astrid C.,Krahulec, Stefan,Klempier, Norbert

, p. 4249 - 4260 (2007/10/03)

Rhodococcus equi A4, Rhodococcus erythropolis NCIMB 11540 and Rhodococcus sp. R312 were investigated towards their ability to produce β-amino amides and acids from β-amino nitriles. The microorganisms show comparable trends: five-membered alicyclic 2-amino nitriles were transformed significantly faster than the six-membered compounds and the products of trans-2-amino nitriles (amides and acids) were formed considerably faster than the cis-counterparts (amides). The trans-five membered nitriles gave the amides (1b, 5b) in excellent enantiomeric excess (94-99%), the biotransformation of trans-six membered substrates resulted in the formation of the acid (3c, 7c) in excellent ee (87-99%). The ee's of the cis-compounds were throughout lower. Fifteen new substances were synthesized and characterized in the course of this work.

Preparation of enantiopure ketones and alcohols containing a quaternary stereocenter through parallel kinetic resolution of β-keto nitriles

Dehli, Juan R.,Gotor, Vicente

, p. 1716 - 1718 (2007/10/03)

Racemic 1-methyl-2-oxocycloalkanecarbonitriles have been subjected to bioreduction by the fungus Mortierella isabellina NRRL 1757 through a parallel kineticresolution process. The u and l alcohols thus obtained (up to >99% ee) were easily separated and oxidized to the R and S ketones, respectively. The process can be then repeated so that both enantiomers of the ketone and two epimers of the alcohol can be obtained in their enantiopure forms.

Polycyclic compounds

-

, (2008/06/13)

PCT No. PCT/GB96/02945 Sec. 371 Date Aug. 25, 1998 Sec. 102(e) Date Aug. 25, 1998 PCT Filed Nov. 28, 1996 PCT Pub. No. WO97/19929 PCT Pub. Date Jun. 5, 1997Compounds of Formula (I), methods for their preparation, pharmaceutical formulations and use thereof.

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