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Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is a chemical compound with the molecular formula C15H13NO2. It is a yellowish liquid with a molecular weight of 239.27 g/mol. ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is commonly used in organic synthesis and pharmaceutical research due to its potential pharmaceutical properties. It is also known for its applications in the field of medicinal chemistry and drug discovery. Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is a versatile building block in the synthesis of various bioactive molecules and pharmaceuticals.

6286-56-2

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6286-56-2 Usage

Uses

Used in Pharmaceutical Research:
Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is used as a building block for the synthesis of various bioactive molecules and pharmaceuticals. Its potential pharmaceutical properties make it a valuable compound in the development of new drugs.
Used in Medicinal Chemistry:
Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is used as a reagent in the preparation of indole derivatives, which have important biological activities. These indole derivatives are used in medicinal applications for their potential therapeutic effects.
Used in Drug Discovery:
Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is often employed in the development of potential anti-cancer and anti-inflammatory drugs. Its versatility as a building block allows for the creation of new drug candidates with potential therapeutic benefits.
Used in Organic Synthesis:
Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate is used as a reagent in various organic synthesis processes. Its unique chemical structure allows for the formation of new compounds with potential applications in various industries.
Used in Agricultural Applications:
Indole derivatives, which can be prepared using ethyl 2-cyano-3-(1H-indol-3-yl)acrylate, are also used in agricultural applications. These compounds have important biological activities that can be harnessed for pest control or crop protection.

Check Digit Verification of cas no

The CAS Registry Mumber 6286-56-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,8 and 6 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 6286-56:
(6*6)+(5*2)+(4*8)+(3*6)+(2*5)+(1*6)=112
112 % 10 = 2
So 6286-56-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H12N2O2/c1-2-18-14(17)10(8-15)7-11-9-16-13-6-4-3-5-12(11)13/h3-7,9,16H,2H2,1H3/b10-7-

6286-56-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate

1.2 Other means of identification

Product number -
Other names ethyl trans-alfa-cyano-3-indole-acrylate

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:6286-56-2 SDS

6286-56-2Relevant academic research and scientific papers

Ammonium chloride catalyzed Knoevenagel condensation in PEG-400 as ecofriendly solvent

Waghmare, Smita R.

, p. 849 - 855 (2021/09/28)

A simple and selective green methodology has been successfully developed for Knoevenagel condensation in polyethylene glycol-400 using 10 mol % ammonium chloride as catalyst. The method is applicable to a wide range of aromatic, heteroaromatic and α,β-unsaturated aldehydes. The reactions have been found to be clean and free from the formation of the Michael adduct.

Development of Novel Mitochondrial Pyruvate Carrier Inhibitors to Treat Hair Loss

Liu, Xiaoguang,Flores, Aimee A.,Situ, Lisa,Gu, Wen,Ding, Hui,Christofk, Heather R.,Lowry, William E.,Jung, Michael E.

, p. 2046 - 2063 (2021/02/16)

Herein, we report the synthesis and evaluation of novel analogues of UK-5099 both in vitro and in vivo for the development of mitochondrial pyruvate carrier (MPC) inhibitors to treat hair loss. A comprehensive understanding of the structure-activity relationship was obtained by varying four positions of the hit compound, namely, the alkyl group on the N1 position, substituents on the indole core, various aromatic and heteroaromatic core structures, and various Michael acceptors. The major discovery was that the inhibitors with a 3,5-bis(trifluoromethyl)benzyl group at the N1 position were shown to have much better activity than JXL001 (UK-5099) to increase cellular lactate production. Additionally, analogue JXL069, possessing a 7-azaindole heterocycle, was also shown to have significant MPC inhibition activity, which further increases the chemical space for drug design. Finally, more than 10 analogues were tested on shaved mice by topical treatment and promoted obvious hair growth on mice.

A facile, efficient and solvent-free titanium (IV) ethoxide catalysed knoevenagel condensation of aldehydes and active methylenes

Ramaiah, Manjunatha M.,Shivananju, Nanjunda Swamy,Shubha, Priya Babu

, p. 107 - 115 (2020/02/04)

Titanium ethoxide has been employed as a novel and efficient reagent for the Knoevenagel condensation of aldehydes with active methylenes such as diethyl malonate and ethyl cyanoacetate under solvent free conditions to afford substituted olefins in high to excellent yields. The reaction is suitable for a variety of aromatic, aliphatic and heteroaromatic aldehydes with various active methylenes. Parallel to this, microwave irradiation has been utilized to achieve improved reaction rates and enhanced yields. Herein, we illustrated a convenient method for the preparation of α,β-unsaturated compounds using both conventional and microwave irradiation methods. An efficient and solvent free Knoevenagel condensation between aldehydes and active methylenes was developed using titanium ethoxide. The procedure proved to be successful with a wide range of substrates such as aromatic, aliphatic and heterocyclic aldehydes and various active methylenes to afford substituted olefins. The reaction was also carried out under microwave irradiation to accomplish the corresponding olefins with improved reaction rates, yields and cleaner reaction profiles.We have developed an efficient and novel methodology for the synthesis of olefinic compounds by Knoevenagel condensation under solvent-free conditions using titanium ethoxide, for the first time, as a reagent as well as a solvent. This method is appropriate for the synthesis of a variety of aromatic aldehydes containing various electron-donating and withdrawing groups, aliphatic and heteroaromatic aldehydes. The significant advantages offered by this methodology could be applied to various active methylenes in order to offer the corresponding Knoevenagel products. Thus, we believe that this method delivers high conversions, cleaner reaction profiles under solvent-free reaction conditions and shorter reaction times, all of which make it a very useful and attractive approach for the preparation of a wide range of substituted olefins.

Water mediated procedure for preparation of stereoselective oximes as inhibitors of MRCK kinase

Luqman, Suaib,Misra, Krishna,Pandey, Jyoti,Shrivash, Manoj Kumar,Shukla, Akhilesh Kumar,Singh, Shilipi

, (2020/07/08)

Stereoselective aldoximes, preferably Z form have been obtained from α-cyano substituted carbonyl conjugated alkenes. This reaction occurs through Michael addition type reaction followed by retro-Knoevenagel reaction without transition-metal catalysis via C–C bond cleavage. These oximes are evaluated against cancer cell lines employing mechanistic study. Two oximes showed significant cytotoxic activity, which through in silico studies were found to inhibit MRCK Kinase, responsible for metastatic spread of cancer mortality.

COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH

-

Page/Page column 43-45, (2020/07/21)

The present disclosure relates to compounds that are capable of inhibiting the mitochondrial pyruvate carrier and promoting hair growth. The disclosure further relates to methods of promoting hair growth or treating conditions or disorders affecting hair growth, such as baldness or alopecia.

The Knoevenagel condensation using quinine as an organocatalyst under solvent-free conditions

Jain, Kavita,Chaudhuri, Saikat,Pal, Kuntal,Das, Kalpataru

supporting information, p. 1299 - 1304 (2019/01/21)

The Knoevenagel condensation between active methylene compounds and aromatic carobonyl compounds has been developed using quinine as an organocatalyst to afford various electrophilic alkenes in excellent yields (up to 90%). In the presence of a catalytic amount of quinine (15 mol%), the reaction proceeded at room temperature (RT) under solvent-free conditions. In this green approach, the organocatalyst was recovered and recycled for up to four cycles without appreciable loss of activity.

Native and modified chitosan-based hydrogels as green heterogeneous organocatalysts for imine-mediated Knoevenagel condensation

Franconetti,Domínguez-Rodríguez,Lara-García,Prado-Gotor,Cabrera-Escribano

, p. 176 - 186 (2016/04/04)

A variety of methylenemalononitriles and ethyl cyanoacrylates derived from both aromatic and heteroaromatic aldehydes were synthesized by Knoevenagel condensation catalysed with native and modified chitosan-based heterogeneous catalysts. The efficiency of our hydrogel organocatalysts, chitosan hydrogel beads and ureidyl-chitosan derivative hydrogel disks, was evaluated as function of pH, temperature and catalyst concentration by considering reaction rates, conversions, E/Z stereoselectivities, and kinetic studies of a model reaction between 4-nitrobenzaldehyde and ethyl cyanoacetate. An unprecedented study by solid state 13C CP MAS NMR of the employed catalyst when reaction was quenched after a 50% of conversion, has demonstrated that an imine-chitosan intermediate is formed during this process. Analysis of E/Z ethyl cyanoacrylate isomer mixtures for determining the corresponding stereoselectivity was carried out by NMR measuring carbon-proton coupling constants (3JC,H) using a novel CLIP-HSQMCB experiment. Additionally, DFT calculations let us rationalise the observed E/Z stereoselectivities as well as to evaluate the role of ureidyl moiety on interaction with aldehydes and imine intermediate formation with chitosan derivative.

Synthesis of Some Novel 3-Substituted Indole Derivatives Using Polyamine Functionalized Heterogeneous Catalyst

Magar, Rupali L.,Thorat, Prashant B.,Waware, Jagdish L.,More, Rameshwar R.,Solanke, Usha A.,Patil, Bhagwan R.,Pawar, Rajendra P.

supporting information, p. 1684 - 1692 (2015/11/09)

In present work, we have described the use of polyamine solid supported GN3 as catalyst in organic transformations using 1H-indole-3-carbaldehyde. To the best of our knowledge, reports for the synthesis of chromen substituted at 3C position of indole are extremely rare in the literature. The polyamine functionalized immobilized silica (GN3) was found to be an excellent catalyst for synthesis of novel 2-amino-4-(1H-indol-3-yl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile derivatives and Knoevenagel condensation. Catalyst GN3 was able to furnish excellent yield for a wide range of products. Moreover, the catalyst was reusable and reused for several times without loss of its catalytic activity.

Reduction of carrageenan-induced acute pulmonary inflammation in mice by novel thiazolidinedione derivative LPSF/RA-4

Barbosa, Karla P.S.,Santos, Laise A.M.,Ribeiro, Edlene L.,Fragoso, Ingrid T.,Rocha, Sura W.S.,Nunes, Ana K.S.,Fran?a, Maria E.R.,Silva, Bruna S.,Silva, Amanda K.S.E.,Donato, Mariana A.M.,Gomes, Fabiana O.S.,Silva, Teresinha G.,Pitta, Ivan R.,Pitta, Marina R.,Lima, Maria C.A.,Uch?a, Flávia D.T.,Galdino, Suely L.,Peixoto, Christina A.

, p. 197 - 205 (2013/11/19)

A number of studies have demonstrated the biological activities of peroxisome proliferator-activated receptors. However, few studies have addressed the effects of the agonists of these receptors on lung diseases. The aim of the present study was to evaluate the anti-inflammatory action of a novel synthetic thiazolidine derivative (5Z)-3-benzyl-5-(1H-indol-3-ylmethylene)-thiazolidine- 2,4-dione (LPSF/RA-4) on acute lung inflammation (pleurisy) induced by carrageenan. Forty mice were randomly allocated to the following groups: (I) saline control group (sham); (II) carrageenan (CAR) group; (III) CAR+LPSF/RA-4 group treated with LPSF/RA-4 (60 μmol/kg); and (IV) INDO group treated with indometacin (5 mg/kg). Total cell counts and the measure of nitric oxide (NO) were performed in pleural exudates. Lung fragments were processed for light microscopy, transmission electron microscopy, immunohistochemistry and Western blotting. The influx of leucocytes and NO levels were significantly reduced following treatment with LPSF/RA-4 and INDO. Histopathological and ultrastructural analyses of the CAR group revealed evident tissue alterations, such as oedema, infiltrates of inflammatory cells and emphysema. These alterations were significantly reduced in the groups treated with LPSF/RA-4 or INDO. Immunohistochemistry revealed an increase in inflammatory markers (COX-2, iNOS, TNF-α and IL-1β) in the lung tissue of the CAR group, whereas the groups treated with LPSF/RA-4 and INDO exhibited significant reductions in such immunomarkers. Western blot analysis revealed an increased expression of COX-2 and IL-1 in the CAR group, which was reduced by treatment with LPSF/RA-4. The present findings demonstrate the potent anti-inflammatory action of the novel derivative thiazolidinedione LPSF/RA-4 in acute lung injury induced by carrageenan.

L-Proline-catalyzed Knoevenagel condensation: A facile, green synthesis of (E)-ethyl 2-cyano-3-(1H-indol-3-yl)acrylates and (E)-3-(1H-indol-3-yl) acrylonitriles

Venkatanarayana,Dubey

experimental part, p. 1746 - 1759 (2012/05/04)

L-Proline has been utilized as a novel and ecofriendly catalyst in ethanol medium for the Knoevenagel condensation of indole-3-carboxyaldehydes and their N-methyl derivatives 1(a-e) and 4(a-e) with the active methylene compound, ethyl cyanoacetate (2) to afford substituted (E)-ethyl 2-cyano-3-(1H-indol-3-yl) acrylates 3(a-e) and 5(a-e) respectively. These products were reacted with dimethyl sulfate in the presence of PEG-600 as an efficient and green solvent to afford the corresponding N-mthylated derivatives 5(a-e). These Knoevenagel products react with 5% NaOH, yielding (E)-3-(1H-indol-3-yl)acrylonitriles 6(a-e) and 7(a-e). Copyright Taylor & Francis Group, LLC.

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