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Benzonitrile, 4-[3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-, is a complex organic compound with the chemical formula C16H11NO3. It is a derivative of benzonitrile, featuring a 2-hydroxyphenyl group attached to a 3-oxo-1-propenyl chain. This molecule is characterized by its aromatic ring structure, a nitrile group (-CN), and a hydroxyl group (-OH). It is known for its potential applications in the synthesis of pharmaceuticals and other organic compounds due to its unique structure and reactivity. The compound's properties, such as solubility and stability, can be influenced by the presence of these functional groups, making it a subject of interest in organic chemistry research.

3033-94-1

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3033-94-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3033-94-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,0,3 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 3033-94:
(6*3)+(5*0)+(4*3)+(3*3)+(2*9)+(1*4)=61
61 % 10 = 1
So 3033-94-1 is a valid CAS Registry Number.

3033-94-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile

1.2 Other means of identification

Product number -
Other names 4-Cyan-2'-hydroxy-chalkon

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:3033-94-1 SDS

3033-94-1Relevant academic research and scientific papers

Synthesis of 3-HCF2S-Chromones through Tandem Oxa-Michael Addition and Oxidative Difluoromethylthiolation

Zhang, Pingshun,Chen, Wanzhi,Liu, Miaochang,Wu, Huayue

supporting information, p. 9326 - 9329 (2019/12/24)

A simple protocol for the synthesis of difluoromethylthiolated chromen-4-ones using elemental sulfur and ClCF2CO2Na as the difluoromethylthiolating agent is described. Three-component reactions of 2′-hydroxychalcones, ClCF2CO2Na, and sulfur under basic conditions using TEMPO as the oxidant afforded HCF2S-containing 4H-chromen-4-one and 9H-thieno[3,2-b]chromen-9-one derivatives in good yield. The protocol is practical and efficient, and the starting materials are cheap and readily available.

Design, synthesis and MAO inhibitory activity of 2-(arylmethylidene)-2,3-dihydro-1-benzofuran-3-one derivatives

Badavath, Vishnu Nayak,Nath, Chandrani,Ganta, Narayana Murthy,Ucar, Gulberk,Sinha, Barij Nayan,Jayaprakash, Venkatesan

, p. 1528 - 1532 (2017/07/17)

A series of 2-(arylmethylidene)-2,3-dihydro-1-benzofuran-3-one derivatives (aurones, 1–20) were synthesized and screened for their inhibitory activity against hMAO. Seventeen compounds (1–5, 7–17, 19) were found to be selective towards hMAO-B, while two w

Synthesis and antiviral activity of 2-aryl-4H-chromen-4-one derivatives against Chikungunya virus

Badavath, Vishnu N.,Jadav, Surender S.,Pastorino, Boris,De Lamballerie, Xavier,Sinha, Barij N.,Jayaprakash, Venkatesan

, p. 1019 - 1024 (2016/11/25)

A series of nineteen 2-aryl-4H-chromen-4-one derivatives 2a-2s were synthesized and evaluated for their antiviral activity against Chikungunya virus (LR2006-OPY1) in Vero cell culture by CPE reduction assay. Three compounds 2a, 2b and 2g, were found to be active at concentration of (IC50) 0.44 μM, 0.45 μM and 2.02 μM, respectively. Compounds having heterocyclic ring 2a and 2b at the 2nd position of the chromenone were found to be potent inhibitor of ChikV. Cytotoxicity studies were performed using Vero cell culture, compounds 2a and 2b exhibited SI of ≥100. Molecular docking simulation has been carried out to understand the possible mechanism of action.

Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones

Nayak, Badavath Vishnu,Ciftci-Yabanoglu,Bhakat, Soumendranath,Timiri, Ajay Kumar,Sinha, Barij N.,Ucar,Soliman, Mahmoud E. S.,Jayaprakash, Venkatesan

, p. 72 - 80 (2015/02/19)

A series of twenty 2-aryl-4H-chromen-4-one (flavones) derivatives (3a-3s) were synthesized and tested for hMAO inhibitory activity. Fifteen compounds (3a, 3c, 3e-3h, 3j-3p, 3r, 3s) were found to be selective towards MAO-B, while 3d was selective towards MAO-A, and 3b, 3i and 3q were non-selective. Experimental Selectivity Index for MAO-B ranges from 2.0 (3g, 3p) to 30.0 (3j). Compound 3j, which is carrying 3,4-di-OMeC6H3 groups at R position on the molecule, was found to be potent MAO-B inhibitor amongst the fifteen with Ki value for MAO-B of 0.16 ± 0.01 lM comparable to that of standard drug, Selegiline (Ki for MAO-B is 0.16 ± 0.01 μM). Compound 3j also appeared as the most selective MAO-B inhibitor according to its best selectivity index (30.0), which is comparable to that of Selegiline (SIMAO-B = 35.0). Molecular docking and molecular dynamics simulation studies were carried out using Autodock-4.0 and Amber12 to understand the molecular level interaction and energy relation of MAO isoforms with selective inhibitors (3d and 3j). Simulation results are in good agreement with the experimental results. Leads identified may further be explored to develop potent isoform specific inhibitors of MAO.

Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones

Badavath, Vishnu Nayak,Ciftci-Yabanoglu,Bhakat, Soumendranath,Timiri, Ajay Kumar,Sinha, Barij N.,Ucar,Soliman, Mahmoud E.S.,Jayaprakash, Venkatesan

, p. 72 - 80 (2015/02/19)

A series of twenty 2-aryl-4H-chromen-4-one (flavones) derivatives (3a-3s) were synthesized and tested for hMAO inhibitory activity. Fifteen compounds (3a, 3c, 3e-3h, 3j-3p, 3r, 3s) were found to be selective towards MAO-B, while 3d was selective towards MAO-A, and 3b, 3i and 3q were non-selective. Experimental Selectivity Index for MAO-B ranges from 2.0 (3g, 3p) to 30.0 (3j). Compound 3j, which is carrying 3,4-di-OMeC6H3 groups at R position on the molecule, was found to be potent MAO-B inhibitor amongst the fifteen with Ki value for MAO-B of 0.16 ± 0.01 μM comparable to that of standard drug, Selegiline (Ki for MAO-B is 0.16 ± 0.01 μM). Compound 3j also appeared as the most selective MAO-B inhibitor according to its best selectivity index (30.0), which is comparable to that of Selegiline (SIMAO-B = 35.0). Molecular docking and molecular dynamics simulation studies were carried out using Autodock-4.0 and Amber12 to understand the molecular level interaction and energy relation of MAO isoforms with selective inhibitors (3d and 3j). Simulation results are in good agreement with the experimental results. Leads identified may further be explored to develop potent isoform specific inhibitors of MAO.

Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction

Allen, John G.,Bourbeau, Matthew P.,Wohlhieter, G. Erich,Bartberger, Michael D.,Michelsen, Klaus,Hungate, Randall,Gadwood, Robert C.,Gaston, Rick D.,Evans, Bruce,Mann, Larry W.,Matison, Michael E.,Schneider, Stephen,Huang, Xin,Yu, Dongyin,Andrews, Paul S.,Reichelt, Andreas,Long, Alexander M.,Yakowec, Peter,Yang, Evelyn Y.,Lee, Tani Ann,Oliner, Jonathan D.

experimental part, p. 7044 - 7053 (2010/08/05)

Tumor protein 53 (p53) is a critical regulator of cell cycle and apoptosis that is frequently disabled in human tumors. In many tumor types, p53 is deleted or mutated, but in others p53 is inactivated by overexpression or amplification of its negative reg

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