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1122-56-1

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1122-56-1 Usage

Chemical Properties

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Synthesis Reference(s)

The Journal of Organic Chemistry, 44, p. 4727, 1979 DOI: 10.1021/jo00393a063

General Description

The enthalpy of dilution of cyclohexanecarboxamide in N,N-dimethylformamide was studied to evaluate the enthalpic interaction coefficient.

Safety Profile

A skin irritant. When heated to decomposition it emits toxic fumes of NOx.

Check Digit Verification of cas no

The CAS Registry Mumber 1122-56-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 2 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1122-56:
(6*1)+(5*1)+(4*2)+(3*2)+(2*5)+(1*6)=41
41 % 10 = 1
So 1122-56-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

1122-56-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Cyclohexanecarboxamide

1.2 Other means of identification

Product number -
Other names Cyclohexylcarboxamide

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:1122-56-1 SDS

1122-56-1Related news

β-Substituted Cyclohexanecarboxamide (cas 1122-56-1) cathepsin K inhibitors: Modification of the 1,2-disubstituted aromatic core09/24/2019

Further SAR study around the central 1,2-disubstituted phenyl of the previously disclosed Cat K inhibitor (−)-1 has demonstrated that the solvent exposed P2–P3 linker can be replaced by various 5- or 6-membered heteroaromatic rings. While some potency loss was observed in the 6-membered heteroa...detailed

1122-56-1Relevant academic research and scientific papers

Half-Sandwich Iridium Complexes for the One-Pot Synthesis of Amides: Preparation, Structure, and Diverse Catalytic Activity

Fan, Xiao-Nan,Deng, Wei,Liu, Zhen-Jiang,Yao, Zi-Jian

, p. 16582 - 16590 (2020)

Several types of air-stable N,O-coordinate half-sandwich iridium complexes containing Schiff base ligands with the general formula [Cp*IrClL] were synthesized in good yields. These stable iridium complexes displayed a good catalytic efficiency in amide synthesis. A variety of amides with different substituents were obtained in a one-pot procedure with excellent yields and high selectivities through the amidation of aldehydes with NH2OHHCl and nitrile hydration under the catalysis of complexes 1-4. The excellent and diverse catalytic activity, mild conditions, broad substance scope, and environmentally friendly solvent make this system potentially applicable in industrial production. Half-sandwich iridium complexes 1-4 were characterized by NMR, elemental analysis, and IR techniques. Molecular structures of complexes 2 and 3 were confirmed by single-crystal X-ray analysis.

A general and practical oxidation of alcohols to primary amides under metal-free conditions

Wu, Xiao-Feng,Sharif, Muhammad,Feng, Jian-Bo,Neumann, Helfried,Pews-Davtyan, Anahit,Langer, Peter,Beller, Matthias

, p. 1956 - 1961 (2013)

A general procedure for oxidation of both benzyl alcohols and alkyl alcohols to primary amides under catalyst free conditions has been developed. 34 examples of primary amides were produced from their corresponding alcohols in moderate to excellent yields. This is a practical procedure for primary amides synthesis; water and tert-butanol are the only by-products. A commercial drug, Piracetam, was prepared in one step with 73% yield as well.

Chemoselective hydrogenation of heteroarenes and arenes by Pd-Ru-PVP under mild conditions

Abe, Naoya,Chaudhari, Chandan,Ikeda, Yasuyuki,Kitagawa, Hiroshi,Kusuda, Kohei,Matsumura, Syo,Nagaoka, Katsutoshi,Nishida, Yoshihide,Sato, Katsutoshi,Terada, Kenji,Toriyama, Takaaki,Yamamoto, Tomokazu

, p. 44191 - 44195 (2020)

Monometallic (Pd, Ru or Rh) and bimetallic (Pd0.5-Ru0.5) alloy NPs catalysts were examined for the hydrogenation of quinoline. Pd-Ru alloy catalyst showed superior catalytic activity to the traditional Rh catalyst. The characterization of Pd0.5-Ru0.5 catalysts, HAADF-EDX mapping and XPS analysis suggested that the alloy state of PdRu catalysts remained unchanged in the recovered catalyst. Furthermore, the catalyst was highly selective for the hydrogenation of different arenes. This journal is

RhI-catalyzed hydration of organonitriles under ambient conditions

Goto, Akihiro,Endo, Kohei,Saito, Susumu

, p. 3607 - 3609 (2008)

(Chemical Presented) New scoop on scope and selectivity: The hydration of organonitriles catalyzed by a RhI(OMe) species under nearly pH-neutral and ambient conditions (25°C, 1 atm) is chemoselective and high-yielding (93 to 99%), has a broad substrate scope, and may thus be complementary to enzymatic hydration methods for the introduction of a terminal amido group (CONH2) onto a carbon chain.

Phosphinous Acid-Assisted Hydration of Nitriles: Understanding the Controversial Reactivity of Osmium and Ruthenium Catalysts

González-Fernández, Rebeca,Crochet, Pascale,Cadierno, Victorio,Menéndez, M. Isabel,López, Ramón

, p. 15210 - 15221 (2017)

The synthesis and catalytic behavior of the osmium(II) complexes [OsCl2(η6-p-cymene)(PR2OH)] [R=Me (2 a), Ph (2 b), OMe (2 c), OPh (2 d)] in nitrile hydration reactions is presented. Among them, the best catalytic results were obtained with the phosphinous acid derivative [OsCl2(η6-p-cymene)(PMe2OH)] (2 a), which selectively provided the desired primary amides in excellent yields and short times at 80 °C, employing directly water as solvent, and without the assistance of any basic additive (TOF values up to 200 h?1). The process was successful with aromatic, heteroaromatic, aliphatic, and α,β-unsaturated organonitriles, and showed a high functional group tolerance. Indeed, complex 2 a represents the most active and versatile osmium-based catalyst for the hydration of nitriles reported so far in the literature. In addition, it exhibits a catalytic performance similar to that of its ruthenium analogue [RuCl2(η6-p-cymene)(PMe2OH)] (4). However, when compared to 4, the osmium complex 2 a turned out to be faster in the hydration of less-reactive aliphatic nitriles, whereas the opposite trend was generally observed with aromatic substrates. DFT calculations suggest that these differences in reactivity are mainly related to the ring strain associated with the key intermediate in the catalytic cycle, that is, a five-membered metallacyclic species generated by intramolecular addition of the hydroxyl group of the phosphinous acid ligand to the metal-coordinated nitrile.

An environmentally benign electrochemical process for the reduction of carboxylic acid hydrazides to amides

Mentel, Matthias,Beier, Matthias J.,Breinbauer, Rolf

, p. 1463 - 1468 (2009)

The transformation of acid hydrazides to primary amides is of certain relevance for the organic synthesis of complex molecules. While existing methods require harsh reaction conditions, we present an electrochemical approach in which monoacylhydrazines are reduced to primary amides in 40-90% yield in a divided electrochemical cell with a tin cathode. This method proved superior to reduction by sodium/mercury or lithium/biphenyl in terms of yield and practicability. Most importantly, the new method is distinguished by its tolerance of aryl halogen and olefinic groups. Georg Thieme Verlag Stuttgart.

Activation of nitriles by silver(I) N-heterocyclic carbenes: An efficient on-water synthesis of primary amides

Thirukovela, Narasimha Swamy,Balaboina, Ramesh,Kankala, Shravankumar,Vadde, Ravindhar,Vasam, Chandra Sekhar

, p. 2637 - 2641 (2019)

A first example of silver(I) N-heterocyclic carbene (Ag(I)-NHC) catalyzed on-water synthesis of primary amides by hydration of nitriles under mild reaction conditions is described. This organometallic catalytic system has excellent tolerance for various homo-aromatic, hetero-aromatic and aliphatic nitriles to afford primary amides in good yields in neat water.

Investigation of binap-based hydroxyphosphine arene-ruthenium(II) complexes as catalysts for nitrile hydration

Toms-Mendivil, Eder,Menndez-Rodrguez, Luca,Francos, Javier,Crochet, Pascale,Cadierno, Victorio

, p. 63466 - 63474 (2014)

The binap-based hydroxyphosphine-(η6-arene)-ruthenium(ii) complexes [RuX{η6:κ1(P)-PPh2-binaphthyl}{PPh2(OH)}][OTf] (X = OTf (4), Cl (5)) have been evaluated as potential catalysts for the selective hydration of nitriles to primary amides. The triflate derivative 4 proved to be the most active, being able to hydrate a large variety of aromatic, heteroaromatic, α,β-unsaturated and aliphatic nitriles in pure water at 100°C. The utility of complex 4 to promote the catalytic rearrangement of aldoximes has also been demonstrated. In addition, insights about the role played by the hydroxyphosphine ligand PPh2(OH) during the catalytic reactions are given.

Mechanochemical Synthesis of Primary Amides

Gómez-Carpintero, Jorge,Sánchez, J. Domingo,González, J. Francisco,Menéndez, J. Carlos

, p. 14232 - 14237 (2021/10/20)

Ball milling of aromatic, heteroaromatic, vinylic, and aliphatic esters with ethanol and calcium nitride afforded the corresponding primary amides in a transformation that was compatible with a variety of functional groups and maintained the integrity of a stereocenter α to carbonyl. This methodology was applied to α-amino esters and N-BOC dipeptide esters and also to the synthesis of rufinamide, an antiepileptic drug.

Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation

Leung, Joyce C.,Nguyen, Thach T.,Krawiec, Mariusz,Gao, Donghong A.,Reeves, Jonathan T.

, p. 632 - 641 (2020/12/22)

Herein, a scalable and practical process to prepare trans-4-fluorocyclohexylamine hydrochloride (1a) is described. By exploitation of the embedded gem-difluoride motif in the commercially available 4,4-difluorocyclohexanecarboxylic acid, a derived orthoester-masked acid underwent dehydrofluorination to provide the requisite vinyl fluoride for a directed hydrogenation event, enabling selective access to the trans-configuration of 1a.

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