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1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROP-2-EN-1-ONE, also known as Curcumenol, is a chemical compound with the molecular formula C15H14O2. It is a natural product derived from plants in the Zingiberaceae family, characterized by its yellow crystalline appearance and a molecular weight of 226.26 g/mol. 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROP-2-EN-1-ONE is recognized for its potential biological activities, such as anti-inflammatory, anti-tumor, and anticancer properties, and is being explored for its use in the development of new pharmaceuticals and as a natural alternative for various health benefits.

1775-98-0

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1775-98-0 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROP-2-EN-1-ONE is used as a pharmaceutical compound for its potential anti-inflammatory, anti-tumor, and anticancer properties. Its natural origin and biological activities make it a promising candidate for the development of new drugs and treatments.
Used in Health and Wellness Industry:
1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROP-2-EN-1-ONE is used as a natural alternative for various health benefits due to its potential biological activities. It may be incorporated into dietary supplements or wellness products to support anti-inflammatory and cancer-preventive efforts.
Used in Research and Development:
1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROP-2-EN-1-ONE is used as a subject of study in research and development for its potential applications in medicine and pharmaceuticals. Scientists are investigating its properties to better understand its mechanisms of action and to develop new therapeutic strategies based on its biological activities.

Check Digit Verification of cas no

The CAS Registry Mumber 1775-98-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,7 and 5 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1775-98:
(6*1)+(5*7)+(4*7)+(3*5)+(2*9)+(1*8)=110
110 % 10 = 0
So 1775-98-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H14O2/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h2-11,17H,1H3

1775-98-0SDS

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 1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one

1.2 Other means of identification

Product number -
Other names 2'-Hydroxy-5'-methyl-chalcon

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:1775-98-0 SDS

1775-98-0Relevant academic research and scientific papers

Convenient synthesis of flavanone derivatives via oxa-Michael addition using catalytic amount of aqueous cesium fluoride

Miura, Motofumi,Shigematsu, Karin,Toriyama, Masaharu,Motohashi, Shigeyasu

supporting information, (2021/10/25)

A total of 36 flavanones, which included polycyclic aromatic and heterocyclic rings, were readily synthesized via oxa-Michael addition from the corresponding hydroxychalcones with a catalytic amount of aqueous cesium fluoride solution under mild conditions. This method could be applied to the scalable synthesis of eriodictyol as a known potent inhibitor of the SARS-CoV-2 spike protein.

Chiral Hydroxytetraphenylene-Boron Complex Catalyzed Asymmetric Diels-Alder Cycloaddition of 2′-Hydroxychalcones

Chai, Guo-Li,Qiao, Yan,Zhang, Ping,Guo, Rong,Wang, Juan,Chang, Junbiao

supporting information, p. 8023 - 8027 (2020/11/02)

(S)-2,15-Cl2-DHTP-boron complex catalyst for the asymmetric Diels-Alder cycloaddition of 2′-hydroxychalcones and dienes was developed and tested. The resulting cyclohexenes with three chiral centers were obtained in high yields (up to 98%) with excellent stereoselectivities (up to >20:1 endo/exo, >99% ee). This catalytic system features high efficiency, broad substrate scopes, and mild reaction conditions. In addition, a DFT study was performed to explain the stereochemical course of the asymmetric induction.

Ruthenium(II)-Catalyzed Synthesis of Spirobenzofuranones by a Decarbonylative Annulation Reaction

Kaishap, Partha P.,Duarah, Gauri,Sarma, Bipul,Chetia, Dipak,Gogoi, Sanjib

supporting information, p. 456 - 460 (2018/02/21)

The first decarbonylative insertion of an alkyne through C?H/C?C activation of six-membered compounds is reported. The Ru-catalyzed reaction of 3-hydroxy-2-phenyl-chromones with alkynes works most efficiently in the presence of the ligand PPh3 to provide spiro-indenebenzofuranones. Unlike previously reported metal-catalyzed decarbonylative annulation reactions, in the present decarbonylative annulation reaction, the annulation occurs before extrusion of carbon monoxide.

From Carbamate to Chalcone: Consecutive Anionic Fries Rearrangement, Anionic Si → C Alkyl Rearrangement, and Claisen-Schmidt Condensation

Kumar, Singam Naveen,Bavikar, Suhas Ravindra,Pavan Kumar, Chebolu Naga Sesha Sai,Yu, Isaac Furay,Chein, Rong-Jie

supporting information, p. 5362 - 5366 (2018/09/12)

A highly efficient one-pot procedure was developed for the synthesis of various 2′-hydroxychalcones from phenyl diethylcarbamate, featuring consecutive Snieckus-Fries rearrangement, anionic Si a?' C alkyl rearrangement, and Claisen-Schmidt condensation in a single operation. The applicability of this protocol was demonstrated by the highly efficient synthesis of the anti-inflammatory natural product lonchocarpin. The mechanism insight is also provided.

Rapid synthesis of flavone-based monoamine oxidase (MAO) inhibitors targeting two active sites using click chemistry

Jia, Wei Zhen,Cheng, Feng,Zhang, Yin Jun,Ge, Jin Yan,Yao, Shao Q.,Zhu, Qing

, p. 141 - 151 (2016/12/16)

A new library of flavone derivatives targeting two active sites of monoamine oxidases (“aromatic cage” and substrate cavity) were designed and synthesized using click chemistry (CuAAC reaction) between 6-N3-2-phenyl chromones (Az1–Az2) and a series of alkynes (k1–k20). Their inhibitory activities against MAO isoforms (MAO-A and MAO-B) are evaluated. Compounds with fluorine, amide bonds, or amino bonds have shown better inhibition. The most potent flavone MAO inhibitor studied is Az2k19 (1.6?μm for MAO-A, 2.1?μm for MAO-B), while Az1k15 and Az2k15 displayed better selectivity toward MAO-B (SI?>?10). Docking studies are in accordance with our hypothesis that these inhibitors are most likely located at both the substrate cavity and the “aromatic cage”. Our results show that it is considerable to develop new MAO inhibitors from C6 substitution of flavone derivatives and that these compounds are also potential for the treatment of diseases associated with MAOs.

Absorption and fluorescent studies of 3-hydroxychromones

Khanna, Radhika,Kumar, Ramesh,Dalal, Aarti,Kamboj, Ramesh C.

, p. 1159 - 1163 (2015/10/20)

The synthesis and spectral studies of variously substituted 3-hydroxychromones have been carried out. A key relationship between the structural motif of synthesized 3-hydroxychromones (3-HCs) and their fluorescent properties was found. The chromones substituted with electron-donating group at 4′-position expressed the red shift of the N and T band and also exhibited the increased fluorescent intensity ratio while the chromones with electron-withdrawing group showed the blue shift of the N and T band. Therefore, these 3-HCs may behave as the possible fluorescent probes.

Discovery of 2′-hydroxychalcones as autophagy inducer in A549 lung cancer cells

Wang, Fang-Wu,Wang, Sheng-Qing,Zhao, Bao-Xiang,Miao, Jun-Ying

, p. 3062 - 3070 (2014/05/06)

A series of 2′-hydroxychalcone derivatives was synthesized and the effects of all the compounds on growth of A549 lung cancer cell were investigated. The results showed that all compounds had inhibitory effects on the growth of A549 lung cancer cells and compound 2-7 possessed the highest growth inhibitory effect and induced autophagy of A549 lung cancer cells.

Pharmacophore model of the quercetin binding site of the SIRT6 protein

Ravichandran,Singh,Donnelly,Migliore,Johnson,Fishwick,Luke,Martin,Maudsley,Fugmann,Moaddel

, p. 38 - 46 (2014/03/21)

SIRT6 is a histone deacetylase that has been proposed as a potential therapeutic target for metabolic disorders and the prevention of age-associated diseases. We have previously reported on the identification of quercetin and vitexin as SIRT6 inhibitors,

Copper (II) chloride: A regioselective catalyst for oxidative aromatization of pyrazoline, isoxazoline and 3-methyl flavanones

Lokhande, Pradeep D.,Dalvi, Bhakti A.,Humne, Vivek T,Nawghare, Beena R.,Kareem, Abdul

, p. 1091 - 1097 (2014/09/30)

A new protocol has been reported in which a series of pyrazoline, isoxazoline and 3-methyl flavanone has been conveniently aromatized by using CuCl2.2H2O in DMSO within a short reaction time in excellent yields. The attraction of this new protocol is regioselective aromatization of substrate 3i-j and 5a-e which has been carried out to afford the aromatized product with O-allyl group intact in excellent yield.

Asymmetric ion-pairing catalysis of the reversible cyclization of 2'-hydroxychalcone to flavanone: Asymmetric catalysis of an equilibrating reaction

Hintermann, Lukas,Dittmer, Claudia

supporting information, p. 5573 - 5584 (2012/11/13)

The asymmetric catalytic cyclization of the simple 2'-hydroxychalcone (1) to flavanone (2), a model for the chalcone isomerase reaction, has been realized as a catalytic asymmetric ion-pairing process with chiral quaternary ammonium salts (e.g., 9-anthracenylmethlycinchoninium chloride; 9-Am-CN-Cl) and NaH as small-molecule co-catalyst. In toluene/CHCl3 solution, the process reaches an intrinsic enantioselectivity of up to S = 14.4 (er = 93.5:6.5). The reversible reaction proceeds in two steps: A fast initial reaction approaches a quasi-equilibrium with KR/S = 4.5, followed by a second, slow racemization phase approaching Krac = 9. A simple mechanistic model featuring a living ion-pairing catalysis with full reversibility is proposed. Deuterium transfer from co-solvent CDCl3 to product 2 and isolation of a Michael conjugate formed from 2 and 1 demonstrate the intermediacy of flavanone enolate ion pairs. A kinetic model shows good agreement with the experimentally observed, peculiar, time-dependent evolution of the species concentrations and the enantiomeric excess of 2. The reaction is a chemical model of the chalcone isomerase enzymatic reaction. Furthermore, it is an ideal model for studying the characteristic behavior of reversible asymmetric catalyses close to their equilibria.

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