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(E)-3-Benzylidenechroman-4-one, also known as Benzofuranone, is a chemical compound characterized by its unique structure that features a benzylidene group and a chromanone ring. It is recognized for its distinctive pharmacological properties and is widely utilized in the synthesis of pharmaceuticals and natural products.

30779-90-9

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30779-90-9 Usage

Uses

Used in Pharmaceutical Synthesis:
(E)-3-Benzylidenechroman-4-one is used as a key intermediate in the synthesis of various pharmaceuticals and natural products due to its unique chemical structure and pharmacological properties.
Used in Anticancer Applications:
In the field of oncology, (E)-3-Benzylidenechroman-4-one is used as a potential anti-cancer agent. Its study has shown promise in targeting and treating various types of cancer due to its ability to exhibit anti-cancer, anti-inflammatory, and antimicrobial activities.
Used in Anti-inflammatory Applications:
(E)-3-Benzylidenechroman-4-one is also used as an anti-inflammatory agent, leveraging its pharmacological properties to help reduce inflammation and alleviate associated symptoms.
Used in Antimicrobial Applications:
(E)-3-BENZYLIDENECHROMAN-4-ONE is utilized as an antimicrobial agent, demonstrating potential in combating various microbial infections due to its ability to inhibit the growth of microorganisms.
Used in Anticonvulsant and Antidepressant Development:
(E)-3-Benzylidenechroman-4-one has shown promise as a building block in the development of new therapeutic agents for conditions such as epilepsy and depression, making it a valuable molecule in medicinal chemistry and drug discovery.
Used in Medicinal Chemistry and Drug Discovery:
Due to its versatile chemistry and biological properties, (E)-3-Benzylidenechroman-4-one is used as a valuable molecule in the field of medicinal chemistry and drug discovery, contributing to the development of novel therapeutic agents for various health conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 30779-90-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,7,7 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 30779-90:
(7*3)+(6*0)+(5*7)+(4*7)+(3*9)+(2*9)+(1*0)=129
129 % 10 = 9
So 30779-90-9 is a valid CAS Registry Number.

30779-90-9SDS

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 (E)-3-[1-phenyl-methylidene]-chroman-4-one

1.2 Other means of identification

Product number -
Other names -

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

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More Details:30779-90-9 SDS

30779-90-9Relevant academic research and scientific papers

High, exoselective Diels-Alder reaction in 5.0 M lithium perchlorate in diethyl ether medium: Efficient synthesis of novel heterocyclic derivatives containing a spirobicyclo[2.2.1]heptane system

Shanmugasundaram,Raghunathan

, p. 5241 - 5245 (2000)

Exocyclic arylidene derivatives have been used as dienophiles in Diels-Alder reactions with cyclopentadiene. A series of novel heterocyclic derivatives containing the spiro bicyclo[2.2.1]heptane system is the outcome of such reactions. The reactions proceed with high exoselectivity in the presence of 5.0 M LPDE medium. (C) 2000 Elsevier Science Ltd.

Rhodium-Catalyzed Asymmetric Transfer Hydrogenation/Dynamic Kinetic Resolution of 3-Benzylidene-Chromanones

Molina Betancourt, Ricardo,Phansavath, Phannarath,Ratovelomanana-Vidal, Virginie

supporting information, p. 1621 - 1625 (2021/03/08)

Straightforward access to enantiomerically enriched cis-3-benzyl-chromanols from (E)-3-benzylidene-chromanones was developed through Rh-catalyzed asymmetric transfer hydrogenation. This transformation allowed the reduction of both the CaC and CaO bonds and the formation of two stereocenters in high yields with excellent levels of diastereo- A nd enantioselectivities (up to >99:1 dr, up to >99% ee) in a single step through a dynamic kinetic resolution process using a low catalyst loading and HCO2H/DABCO as the hydrogen source.

Tetralone derivatives are MIF tautomerase inhibitors and attenuate macrophage activation and amplify the hypothermic response in endotoxemic mice

?rfi, László,Bagóné Vántus, Viola,Garai, János,Garami, András,Jakus, Péter Balázs,Kéringer, Patrik,Kovács, Dominika,Krekó, Marcell,Lóránd, Tamás,Radnai, Balázs,Rumbus, Zoltán,Vámos, Eszter

, p. 1357 - 1369 (2021/07/22)

Macrophage migration inhibitory factor (MIF) is a pro-inflammatory cytokine playing crucial role in immunity. MIF exerts a unique tautomerase enzymatic activity that has relevance concerning its multiple functions and its small molecule inhibitors have been proven to block its pro-inflammatory effects. Here we demonstrate that some of the E-2-arylmethylene-1-tetralones and their heteroanalogues efficiently bind to MIF’s active site and inhibit MIF tautomeric (enolase, ketolase activity) functions. A small set of the synthesised derivatives, namely compounds (4), (23), (24), (26) and (32), reduced inflammatory macrophage activation. Two of the selected compounds (24) and (26), however, markedly inhibited ROS and nitrite production, NF-κB activation, TNF-α, IL-6 and CCL-2 cytokine expression. Pre-treatment of mice with compound (24) exaggerated the hypothermic response to high dose of bacterial endotoxin. Our experiments suggest that tetralones and their derivatives inhibit MIF’s tautomeric functions and regulate macrophage activation and thermal changes in severe forms of systemic inflammation.

Biological evaluation of 3-benzylidenechromanones and their spiropyrazolines-based analogues

Adamus-Grabicka, Angelika A.,Budzisz, Elzbieta,Cieslak, Marcin,Hikisz, Pawe?,Królewska-Golinska, Karolina,Kusz, Joachim,Ma?ecka, Magdalena,Markowicz-Piasecka, Magdalena

, (2020/04/10)

A series of 3-benzylidenechrmanones 1, 3, 5, 7, 9 and their spiropyrazoline analogues 2, 4, 6, 8, 10 were synthesized. X-ray analysis confirms that compounds 2 and 8 crystallize in a monoclinic system in P21/n space groups with one and three molecules in each asymmetric unit. The crystal lattice of the analyzed compounds is enhanced by hydrogen bonds. The primary aim of the study was to evaluate the anti-proliferative potential of 3-benzylidenechromanones and their spiropyrazoline analogues towards four cancer cell lines. Our results indicate that parent compounds 1 and 9 with a phenyl ring at C2 have lower cytotoxic activity against cancer cell lines than their spiropyrazolines analogues. Analysis of IC50 values showed that the compounds 3 and 7 exhibited higher cytotoxic activity against cancer cells, being more active than the reference compound (4-chromanone or quercetin). The results of this study indicate that the incorporation of a pyrazoline ring into the 3-arylideneflavanone results in an improvement of the compounds’ activity and therefore it may be of use in the search of new anticancer agents. Further analysis allowed us to demonstrate the compounds to have a strong inhibitory effect on the cell cycle. For instance, compounds 2, 10 induced 60% of HL-60 cells to be arrested in G2/M phase. Using a DNA-cleavage protection assay we also demonstrated that tested compounds interact with DNA. All compounds at the concentrations corresponding to cytotoxic properties are not toxic towards red blood cells, and do not contribute to hemolysis of RBCs.

I2/TBHP mediated diastereoselective synthesis of spiroaziridines

Ashitha, Kizhakkan Thiruthi,Vinaya, Puthiya Purayil,Krishna, Ajay,Vincent, Deepthy Cheeran,Jalaja, Renjitha,Varughese, Sunil,Somappa, Sasidhar Balappa

supporting information, p. 1588 - 1593 (2020/03/06)

Eventhough spiroheterocycles are considered as emerging drug candidates, synthesis of spiroaziridines has not been well explored so far. Herein, we disclose an efficient I2/TBHP mediated diastereoselective synthesis of N-alkyl spiroaziridines from primary amines and easily accessible α,β-unsaturated ketones. The reaction is also compatible for the synthesis of 2-aroylaziridines.

The relationship between Hirshfeld potential and cytotoxic activity: A study along a series of flavonoid and chromanone derivatives

Adamus-Grabicka, Angelika,Budzisz, El?bieta,Eriksson, Lars,Kusz, Joachim,Ma?ecka, Magdalena

, p. 723 - 733 (2020/08/21)

The present study examines a series of six biologically-active flavonoid and chromanone derivatives by X-ray crystal structure analysis: (E)-3-benzyl-idene-2-phenyl-chroman-4-one, C 22 H 16 O 2, I, (E)-3-(4-methyl-benzyl-idene)-2-phenyl-chroman-4-one, C 23 H 18 O 2, II, (E)-3-(3-methyl-benzyl-idene)-2-phenyl-chroman-4-one, C 23 H 18 O 2, III, (E)-3-(4-meth-oxy-benzyl-idene)-2-phenyl-chroman-4-one, C 23 H 18 O 3, IV, (E)-3-benzyl-idenechroman-4-one, C 16 H 12 O 2, V, and (E)-3-(4-meth-oxy-benzyl-idene)chroman-4-one, C 17 H 14 O 3, VI. The cytotoxic activities of the presented crystal structures have been determined, together with their inter-molecular inter-action preferences and Hirshfeld surface characteristics. An inverse relationship was found between the contribution of C?C close contacts to the Hirshfeld surface and cytotoxic activity against the WM-115 cancer line. Dependence was also observed between the logP value and the percentage contribution of C?H contacts to the Hirshfeld surface.

A Convenient Palladium-Catalyzed Carbonylative Synthesis of (E)-3-Benzylidenechroman-4-ones

Wang, Wei-Feng,Peng, Jin-Bao,Qi, Xinxin,Ying, Jun,Wu, Xiao-Feng

, p. 3521 - 3524 (2019/02/14)

A convenient palladium-catalyzed carbonylation reaction for the efficient synthesis of (E)-3-benzylidenechroman-4-ones has been developed. Using TFBen as a solid CO source, a range of substituted (E)-3-benzylidenechroman-4-ones were prepared in moderate to good yields with 2-iodophenols and allyl chlorides as the substrates. Additionally, substituted quinolin-4(1H)-ones can also be obtained with 2-iodoaniline as the starting material.

BF3·OEt2-Mediated Tandem Annulation: A Strategy to Construct Functionalized Chromeno- and Pyrano-Fused Pyridines

Ashitha,Praveen Kumar,Fathimath Salfeena,Sasidhar

, p. 113 - 124 (2018/02/19)

A simple and efficient one-pot annulation of arylidenones, alkynes, and nitriles in the presence of BF3·OEt2 is described. A highly functionalized variety of N-substituted pyridine-fused chromeno and pyrano derivatives were obtained

Synthesis and biological evaluation of 3-benzylidene-4-chromanone derivatives as free radical scavengers and α-glucosidase inhibitors

Takao, Koichi,Yamashita, Marimo,Yashiro, Aruki,Sugita, Yoshiaki

, p. 1203 - 1207 (2016/08/11)

A series of 3-benzylidene-4-chromanone derivatives (3-20) were synthesized and the structure-activity relationships for antioxidant and α-glucosidase inhibitory activities were evaluated. Among synthesized compounds, compounds 5, 13, 18, which contain catechol moiety, showed the potent 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging activity (5: EC50 13 μM; 13: EC50 14 μM; 18: EC50 13 μM). The compounds 12, 14, 18 showed higher α-glucosidase inhibitory activity (12: IC50 15 μM; 14: IC50 25 μM; 18: IC50 28 μM). The compound 18 showed both of potent DPPH radical scavenging and α-glucosidase inhibitory activities. These data suggest that 3-benzylidene-4-chromanone derivatives, such as compound 18, may serve as the lead compound for the development of novel α-glucosidase inhibitors with antioxidant activity.

A series of novel terpyridine-skeleton molecule derivants inhibit tumor growth and metastasis by targeting topoisomerases

Kwon, Han-Byeol,Park, Chanmi,Jeon, Kyung-Hwa,Lee, Eunyoung,Park, So-Eun,Jun, Kyu-Yeon,Kadayat, Tara Man,Thapa, Pritam,Karki, Radha,Na, Younghwa,Park, Mi Sun,Rho, Seung Bae,Lee, Eung-Seok,Kwon, Youngjoo

, p. 1100 - 1122 (2015/03/04)

A series of novel terpyridine-skeleton molecules containing conformational rigidity, 14 containing benzo[4,5]furo[3,2-b]pyridine core and 15 comprising chromeno[4,3-b]pyridine core, were synthesized, and their biological activities were evaluated. 3-(4-Ph

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