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Cyclohexanecarboxylic acid, 1-cyano-, ethyl ester is a chemical compound that serves as a versatile building block in organic synthesis, characterized by its potential for various chemical reactions. It is an ester of ethyl alcohol and 1-cyanocyclohexanecarboxylic acid, a derivative of cyclohexanecarboxylic acid, and is known for its reactivity, making it a valuable intermediate in the synthesis of numerous active pharmaceutical ingredients and specialty chemicals.

1130-21-8

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1130-21-8 Usage

Uses

Used in Pharmaceutical Industry:
Cyclohexanecarboxylic acid, 1-cyano-, ethyl ester is used as an intermediate for the synthesis of a variety of drugs, contributing to the development of new pharmaceuticals with potential therapeutic applications.
Used in Agrochemical Production:
Cyclohexanecarboxylic acid, 1-cyano-, ethyl ester is also utilized in the production of various agrochemicals, playing a crucial role in the development of effective and safe products for agricultural use.
Used in Organic Synthesis:
Cyclohexanecarboxylic acid, 1-cyano-, ethyl ester is employed as a versatile building block in organic synthesis, enabling the creation of a wide range of chemical compounds for diverse applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1130-21-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,3 and 0 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1130-21:
(6*1)+(5*1)+(4*3)+(3*0)+(2*2)+(1*1)=28
28 % 10 = 8
So 1130-21-8 is a valid CAS Registry Number.

1130-21-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 1-cyanocyclohexane-1-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 1-cyanocyclohexanecarboxylate

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:1130-21-8 SDS

1130-21-8Relevant academic research and scientific papers

Novel reactions with the underutilized BrF3: The chemistry with nitriles

Rozen,Rechavi,Hagooly

, p. 161 - 165 (2001)

Bromine trifluoride is a relatively new reagent in organic and fluoroorganic chemistry. Under the right conditions, it can be a useful tool and generate new types of reactions and compounds. In order to react properly, it has to be complexed by at least t

Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists

Durner, Anna,Koufaki, Maria,Kritsi, Eftichia,Nicke, Annette,Papakostas, Alexios,T. Pournara, Dimitra,Zoumpoulakis, Panagiotis

supporting information, p. 2530 - 2543 (2020/10/19)

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide (56) exhibiting the best potency with an IC50 value of 0.39 μΜ.

Synthesis of oxazolidin-2-ones and imidazolidin-2-ones directly from 1,3-diols or 3-amino alcohols using iodobenzene dichloride and sodium azide

He, Tian,Gao, Wen-Chao,Wang, Wei-Kun,Zhang, Chi

supporting information, p. 1113 - 1118 (2014/04/03)

A general and efficient method for the synthesis of oxazolidin-2-ones and imidazolidin-2-ones directly from 1,3-diols and 3-amino alcohols has been developed using the same reagent combination of iodobenzene dichloride (PhICl2) and sodium azide (NaN3).

BENZISOXAZOLE COMPOUND

-

Page/Page column 70, (2009/02/10)

Disclosed is a compound represented by the general formula (I) or a salt thereof: wherein any one of R1, R2 and R3 represents a group represented by the formula: -(CH2)m-NR11R12 (wherein m is 1 or 2; and R11 and R12 independently represent a hydrogen atom or a C1-6 alkyl group or may, together with a nitrogen atom to which R11 and R12 are bound, form a 4- or 5-membered cyclic group); the remaining two or R1, R2 and R3 independently represent a group represented by the formula: -(O)n-R21 (wherein n is 0 or 1; and R21 represents a hydrogen atom, a C1-6 alkyl group, a C2-6 alkenyl group, a C2-6 alkynyl group, or the like); and R4 represents a C1-6 alkyl group which may have a substituent or the like.

6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING

-

Page/Page column 39-40, (2008/06/13)

Benzoxazole and benzothiazole compounds and the stereoisomers, tautomers, solvates, oxides, esters, and prodrugs thereof and pharmaceutically acceptable salts thereof are disclosed. Compositions of the compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier, and uses of the compounds, either alone or in combination with at least one additional therapeutic agent are also disclosed. The embodiments are useful for inhibiting cellular proliferation, inhibiting the growth and/or metathesis of tumors, treating or preventing cancer, treating or preventing degenerating bone diseases such as rheumatoid arthritis, and/or inhibiting molecules such as CSF-1R.

Efficient preparation of α,α-dialkyl-α-(phenylselanyl) acetates and α,β-unsaturated esters from the corresponding α,α-dialkyl-α-cyanoacetates by a lithium naphthalenide induced reductive selenenylation process

Ko, Yen-Chun,Zhu, Jia-Liang

, p. 3659 - 3665 (2008/09/19)

An array of α,α-dialkyl-α-(phenylselanyl)acetates has been synthesized very efficiently from readily available α,α- dialkyl-α-cyanoacetates, by use of lithium naphthalenide induced reductive α-selenenylation as a key operation. Moreover, the selanyl esters thus generated in situ could be converted further, in a one-pot treatment with hydrogen peroxide and acetic acid, into the corresponding α,β- unsaturated esters in moderate to high yields. The C=C bond formation was highly regio- and/or diastereoselective in some cases. Georg Thieme Verlag Stuttgart.

AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES

-

Page/Page column 76, (2010/11/28)

Imidazopyridine, imidazoquinoline, and imidazonaphthyridine compounds having an amide substituent at the 1-position, pharmaceutical compositions containing the compounds, intermediates, and methods of making and methods of use of these compounds as immunomodulators, for modulating cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are disclosed.

Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

Varie, David L.,Shih, Chuan,Hay, David A,Andis, Sherri L.,Corbett, Tom H.,Gossett, Lynn S.,Janisse, Samantha K.,Martinelli, Michael J.,Moher, Eric D.,Schultz, Richard M.,Toth, John E.

, p. 369 - 374 (2007/10/03)

Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models.

A convenient new procedure for the construction of highly substituted acetates. Reductive alkylation of α-cyano esters

Shia, Kak-Shan,Chang, Nien-Yin,Yip, Judy,Liu, Hsing-Jang

, p. 7713 - 7716 (2007/10/03)

A convenient, highly efficient general method for the preparation of highly substituted acetates has been developed, making use of reductive alkylation of α-cyano esters as a key operation.

A FACILE PROCEDURE FOR THE PREPARATION OF ALICYCLIC α-AMINO ACIDS

Kalvin, Douglas,Ramalingam, Kondareddiar,Woodward, Ronald

, p. 267 - 272 (2007/10/02)

A convenient method for the preparation of alicyclic α-amino acids is described which utilizes ethyl isocyanoacetate and the appropriate dibromo-substituted aliphatic alkylating agent.

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