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(4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is a chemical compound characterized by its molecular formula C12H11NO3. It is a yellowish solid that exhibits solubility in organic solvents but not in water. (4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is recognized for its potential applications in the synthesis of pharmaceuticals and agrochemicals, as well as its antimicrobial and antifungal properties.

71198-72-6

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71198-72-6 Usage

Uses

Used in Pharmaceutical Synthesis:
(4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique chemical structure allows it to be a valuable building block in the development of new medications.
Used in Agrochemical Production:
In the agrochemical industry, (4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is utilized as a component in the production of pesticides and other agrochemicals, contributing to its effectiveness in protecting crops from pests and diseases.
Used as an Antimicrobial Agent:
(4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is used as an antimicrobial agent in various applications, such as in the medical and food industries, due to its ability to inhibit the growth of harmful microorganisms.
Used as an Antifungal Agent:
(4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one is also used as an antifungal agent, making it a valuable ingredient in the production of antifungal products for the treatment of fungal infections and in the preservation of materials susceptible to fungal degradation.
Used in Drug Development:
(4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one has shown potential as a natural product that could be used in the development of new drugs. Ongoing research is being conducted to explore its potential applications in various fields, including the pharmaceutical industry, where it may contribute to the creation of novel therapeutics.

Check Digit Verification of cas no

The CAS Registry Mumber 71198-72-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,1,9 and 8 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 71198-72:
(7*7)+(6*1)+(5*1)+(4*9)+(3*8)+(2*7)+(1*2)=136
136 % 10 = 6
So 71198-72-6 is a valid CAS Registry Number.

71198-72-6SDS

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 (4Z)-4-(4-methoxybenzylidene)-2-methyl-oxazolin-5-one

1.2 Other means of identification

Product number -
Other names (Z)-4-(4-Methoxybenzylidene)-2-methyloxazol-5(4H)-one

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:71198-72-6 SDS

71198-72-6Downstream Products

71198-72-6Relevant academic research and scientific papers

Mechanistically Guided One Pot Synthesis of Phosphine-Phosphite and Its Implication in Asymmetric Hydrogenation

Sen, Anirban,Kumar, Rohit,Pandey, Swechchha,Vipin Raj,Kumar, Pawan,Vanka, Kumar,Chikkali, Samir H.

supporting information, (2022/01/11)

Although hybrid bidentate ligands are known to yield highly enantioselective products in asymmetric hydrogenation (AH), synthesis of these ligands is an arduous process. Herein, a one pot, atom-economic synthesis of a hybrid phosphine-phosphite (L1) is reported. After understanding the reactivity difference between an O-nucleophile versus C-nucleophile, one pot synthesis of Senphos (L1) was achieved (72 %). When L1 was treated with [Rh], 31P NMR revealed bidentate coordination to Rh. Senphos, in the presence of rhodium, catalyzes the AH of Methyl-2-acetamido-3-phenylacrylate and discloses an unprecedented turn over frequency of 2289, along with excellent enantio-selectivity (92 %). The generality is demonstrated by hydrogenating an array of alkenes. The AH operates under mild conditions of 1–2 bar H2 pressure, at room temperature. The practical relevance of L1 is demonstrated by scaling-up the reaction to 1 g and by synthesizing DOPA, a drug widely employed for the treatment of Parkinson's disease. Computational insights indicate that the R isomer is preferred by 3.8 kcal/mol over the S isomer.

A novel synthetic protocol for the synthesis of pulvinones, and naturally occurring Aspulvinone E, molecules of medicinal interest

Igglessi-Markopoulou, Olga,Katsamakas, Sotirios,Markopoulos, John,Prousis, Kyriakos C.

supporting information, (2021/11/22)

A novel two step methodology for readily accessible natural “pulvinone” derivatives in excellent yields has been developed starting from activated precursors, bearing a functionalized 1,3-dioxolane-2,4-diones (OCA’s), as dually protected-activated synthon

Synthesis, biological activity, molecular docking studies of a novel series of 3-Aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as the acetylcholinesterase inhibitors

Jin, Zhe,Zhang, Chao,Liu, Miao,Jiao, Simeng,Zhao, Jing,Liu, Xiaoping,Lin, Huangquan,Chi-cheong Wan, David,Hu, Chun

, p. 2478 - 2489 (2020/04/27)

The acetylcholinesterase inhibitors play a critical role in the drug therapy for Alzheimer’s disease. In this study, twenty-nine novel 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were synthesized and assayed for their human acetylcholinesterase (hAChE) inhibitory activities. Inhibitory ratio values of seventeen compounds were above 55% with 4c having the highest value as 77.19%. The compounds with the halogen atoms in the aromatic ring, and N,N-diethylamino or N,N-dimethylamino groups in the side chains at C-3 positions exhibited good inhibitory activity. SAR study was carried out by means of molecular docking technique. According to molecular docking results, the common interacting site for all compounds were found to be peripheral anionic site whereas highly active compounds were interacting with the catalytic active site too. HIGHLIGHTS A novel series of 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were synthesized and assayed for their human acetylcholinesterase (hAChE) inhibitory activities. The SAR study of the target 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives was summarized. The active sites in the acetylcholinesterase were analyzed by molecular docking technique. Communicated by Ramaswamy H. Sarma.

Synthesis and preliminary biological evaluation of antibacterial and antifungal 5-arylidene tetramic acid-cadmium(II) complexes

Matiadis, Dimitris,Stefanou, Valentina,Tsironis, Dimitrios,Panagiotopoulou, Angeliki,Igglessi-Markopoulou, Olga,Markopoulos, John

, (2021/09/29)

The synthesis and biological evaluation of 5-arylidene-N-acetyl-tetramic acids cadmium(II) complexes are reported. Eleven novel compounds were prepared, characterized by nuclear magnetic resonance experiments and screened for their antimicrobial activity

Synthesis, biological evaluation and structure-activity relationships of 5-arylidene tetramic acids with antibacterial activity against methicillin-resistant Staphylococcus aureus

Matiadis, Dimitris,Tsironis, Dimitrios,Stefanou, Valentina,Boussias, Spyridon,Panagiotopoulou, Angeliki,McKee, Vickie,Igglessi-Markopoulou, Olga,Markopoulos, John

supporting information, (2020/04/08)

The steady rise of the antimicrobial resistance is a major global threat to human health that requires the urgent need for novel antibiotics. In this work we report the synthesis of a small library of 3-subsituted-5-arylidene tetramic acids in order to in

Activated carbon/Br?nsted acid-promoted aerobic benzylic oxidation under “on-water” condition: Green and efficient synthesis of 3-benzoylquinoxalinones as potent tubulin inhibitors

Guan, Qi,Cong, Lin,Wang, Qing,Yu, Changyue,Bao, Kai,Zhou, Kai,Wu, Lan,Zhang, Weige

supporting information, (2019/12/06)

Green chemistry is becoming the favored approach to preparing drug molecules in pharmaceutical industry. Herein, we developed a clean and efficient method to synthesize 3-benzoylquinoxalines via activated carbon promoted aerobic benzylic oxidation under “on-water” condition. Moreover, biological studies with this class of compounds reveal an antiproliferative profile. Further structure modifications are performed and the investigations exhibited that the most active 12a could inhibit the microtubule polymerization by binding to tubulin and thus induce multipolar mitosis, G2/M phase arrest, and apoptosis of cancer cells. In addition, molecular docking studies allow the rationalization of the pharmacodynamic properties observed. Our systematic studies provide not only guidance for applications of O2/AC/H2O system, but also a new scaffold targeting tubulin for antitumor agent discovery.

Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation

Jiang, Hong,Zhang, Wenqiang,Kang, Xing,Cao, Ziping,Chen, Xu,Liu, Yan,Cui, Yong

supporting information, p. 9642 - 9652 (2020/07/02)

The design and development of robust and porous supported catalysts with high activity and selectivity is extremely significant but very challenging for eco-friendly synthesis of fine chemicals and pharmaceuticals. We report here the design and synthesis of highly stable chiral Zr(IV)-based MOFs with different topologies to support Ir complexes and demonstrate their network structures-dependent asymmetric catalytic performance. Guided by the modulated synthesis and isoreticular expansion strategy, five chiral Zr-MOFs with a flu or ith topology are constructed from enantiopure 1,1′-biphenol-derived tetracarboxylate linkers and Zr6, Zr9, or Zr12 clusters. The obtained MOFs all show high chemical stability in boiling water, strongly acidic, and weakly basic aqueous solutions. The two flu MOFs featuring the dihydroxyl groups of biphenol in open and large cages, after sequential postsynthetic modification with P(NMe2)3 and [Ir(COD)Cl]2, can be highly efficient and recyclable heterogeneous catalysts for hydrogenation of α-dehydroamino acid esters with up to 98% ee, whereas the three ith MOFs featuring the dihydroxyl groups in small cages cannot be installed with P(NMe2)3 to support the Ir complex. Incorporation of Ir-phosphorus catalysts into Zr-MOFs leads to great enhancement of their chemical stability, durability, and even stereoselectivity. This work therefore not only advances Zr-MOFs as stable supports for labile metal catalysts for heterogeneous asymmetric catalysis but also provides a new insight into how highly active chiral centers can result due to the framework topology.

Silver-Promoted Direct Phosphorylation of Bulky C(sp2)-H Bond to Build Fully Substituted β-Phosphonodehydroamino Acids

Cao, Hao-Qiang,Liu, Hao-Nan,Liu, Zhe-Yuan,Qiao, Baokun,Zhang, Fa-Guang,Ma, Jun-An

supporting information, p. 6414 - 6419 (2020/09/02)

A general and practical cross-dehydrogenative coupling protocol between readily available trisubstituted α,β-dehydro α-amino carboxylic esters and H-phosphites is described. This C(sp2)-H phosphorylation reaction proceeds with absolute Z-selectivity promoted by silver salt in a radical relay manner. The bulky tetrasubstituted β-phosphonodehydroamino acids were obtained in grams and added new modules to the toolkit for peptide modifications.

Pharmaceutical composition and method of treating cancer

-

Page/Page column 47, (2020/12/07)

Cytotoxic compounds containing a phenyl core, amide link(s), an imidazolinone or a propenamide moiety. Also described are pharmaceutical compositions incorporating the cytotoxic compounds and methods for treating cancer. These compounds are cytotoxic against breast, prostate, and leukemia cancer cell lines via dual inhibition of Src kinases and tubulin.

Chiral bisphosphine ligands based on quinoline oligoamide foldamers: application in asymmetric hydrogenation

Zheng, Lu,Zheng, Dan,Wang, Yanru,Yu, Chengyuan,Zhang, Kun,Jiang, Hua

supporting information, p. 9573 - 9577 (2019/11/20)

A series of chiral bisphosphine ligands were designed and synthesized based on single-handed quinoline oligoamide foldamers. The bisphosphine ligands can coordinate with Rh(cod)2BF4 in a 1 : 1 stoichiometry and the resulted chiral Rh(i) catalysts were applied in the asymmetric hydrogenation of α-dehydroamino acid esters, in which excellent conversions and promising levels of enantioselectivity were achieved.

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