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2-(4-methoxyphenyl)-3-methyloxirane is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

51410-46-9

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51410-46-9 Usage

Type of compound

Epoxide derivative.

Parent compound

Eugenol, found in essential oils such as clove oil and cinnamon leaf oil.

Antioxidant

Helps neutralize free radicals and prevent oxidative stress.

Anti-inflammatory

Reduces inflammation in the body.

Anticancer

Shows potential in inhibiting cancer cell growth.

Flavor

Adds a spicy and clove-like taste to food products.

Fragrance

Provides a spicy and clove-like aroma to various products.

Potential use as a biopesticide

Offers a natural alternative to synthetic pesticides in agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 51410-46-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,4,1 and 0 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 51410-46:
(7*5)+(6*1)+(5*4)+(4*1)+(3*0)+(2*4)+(1*6)=79
79 % 10 = 9
So 51410-46-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3

51410-46-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methoxyphenyl)-3-methyloxirane

1.2 Other means of identification

Product number -
Other names Anethole 1,2-oxide

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:51410-46-9 SDS

51410-46-9Relevant academic research and scientific papers

Cobalt-Catalyzed Z to e Isomerization of Alkenes: An Approach to (E)-β-Substituted Styrenes

Liu, Hongmei,Xu, Man,Cai, Cheng,Chen, Jianhui,Gu, Yugui,Xia, Yuanzhi

supporting information, p. 1193 - 1198 (2020/02/04)

An efficient cobalt-catalyzed Z to E isomerization of β-substituted styrenes using the amido-diphosphine ligand was developed, delivering the (E)-isomers with good functional tolerance and high stereoselectivity. The reaction could be scaled up to gram-scale with a catalyst loading of 0.1 mol %, using a mixture of (Z)- and (E)-alkene as the starting material. Preliminary mechanistic studies indicated that cobalt(I)-hydride and a benzylic-cobalt species were probably involved in the reaction, as supported by experiments and DFT calculations.

A General Regioselective Synthesis of Alcohols by Cobalt-Catalyzed Hydrogenation of Epoxides

Beller, Matthias,Junge, Kathrin,Leischner, Thomas,Li, Wu,Liu, Weiping

supporting information, p. 11321 - 11324 (2020/05/16)

A straightforward methodology for the synthesis of anti-Markovnikov-type alcohols is presented. By using a specific cobalt triphos complex in the presence of Zn(OTf)2 as an additive, the hydrogenation of epoxides proceeds with high yields and selectivities. The described protocol shows a broad substrate scope, including multi-substituted internal and terminal epoxides, as well as a good functional-group tolerance. Various natural-product derivatives, including steroids, terpenoids, and sesquiterpenoids, gave access to the corresponding alcohols in moderate-to-excellent yields.

Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media

Dar, Tawseef Ahmad,Uprety, Bhawna,Sankar, Muniappan,Maurya, Mannar R.

, p. 1757 - 1768 (2019/04/08)

meso-Tetrakis(3,5-dimethoxyphenyl)porphyrinatooxidovanadium (1) and β-octabromo-meso-tetrakis(2,6-dibromo-3,5-dimethoxyphenyl)porphyrinatooxidovanadium (2) were synthesized in excellent yields. The synthesized oxidovanadium(iv) porphyrin complexes were characterized by various spectroscopic methods such as UV-Vis, FT-IR, EPR and MALDI-TOF mass spectrometry, as well as by single crystal X-ray crystallography. The acetonitrile coordinated porphyrin 1 is relatively planar whereas 2 is highly nonplanar as shown by their crystal structures and also by electrochemical studies. Selective epoxidation studies of alkenes were successfully carried out in CH3CN/H2O as the solvent mixture at ambient temperature resulting in very high TOF numbers (12227-14347 h-1 for 2) even with low catalyst loadings. Remarkably, 2 biomimics the vanadium bromoperoxidase (VBrPO) enzyme with extremely high TOF values (83333-87719 h-1) for the oxidative bromination of thymol and some other phenols. Both the catalysts were successfully recovered at the end of the reactions, indicating their viability and industrial applicability.

Enhanced Turnover for the P450 119 Peroxygenase-Catalyzed Asymmetric Epoxidation of Styrenes by Random Mutagenesis

Wang, Li,Wei, Siping,Pan, Xianchao,Liu, Pingxian,Du, Xi,Zhang, Chun,Pu, Lin,Wang, Qin

, p. 2741 - 2749 (2018/02/28)

A randomized library is constructed based on pET30a-CYP119-T214V plasmid. This library of random mutants of CYP119-T214V was screened by means of the reduced CO difference spectra and epoxidation of styrene. By using directed evolution, a new CYP119 quadr

Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides

Daniel, Paige E.,Weber, Alexandria E.,Malcolmson, Steven J.

supporting information, p. 3490 - 3493 (2017/07/15)

We report the direct preparation of 1,3-amino alcohols that contain up to three contiguous stereogenic centers by the umpolung coupling of imines and epoxides. Nucleophilic 2-azaallyl anions, generated from imines, are stereoselectively added to epoxides to furnish 1,3-amino alcohols after hydrolysis of the product imine. Transformations afford amino alcohols with >98% site selectivity with respect to both reaction partners and in up to >98% yield and >20:1 dr.

Engineering P450 Peroxygenase to Catalyze Highly Enantioselective Epoxidation of cis-β-Methylstyrenes

Zhang, Chun,Liu, Ping-Xian,Huang, Lu-Yi,Wei, Si-Ping,Wang, Li,Yang, Sheng-Yong,Yu, Xiao-Qi,Pu, Lin,Wang, Qin

, p. 10969 - 10975 (2016/07/27)

P450 119 peroxygenase and its site-directed mutants are discovered to catalyze the enantioselective epoxidation of methyl-substituted styrenes. Two new site-directed P450 119 mutants, namely T213Y and T213M, which were designed to improve the enantioselectivity and activity for the epoxidation of styrene and its methyl substituted derivatives, were studied. The T213M mutant is found to be the first engineered P450 peroxygenase that shows highly enantioselective epoxidation of cis-β-methylstyrenes, with up to 91 % ee. Molecular modeling studies provide insights into the different catalytic activity of the T213M mutant and the T213Y mutant in the epoxidation of cis-β-methylstyrene. The results of the calculations also contribute to a better understanding of the substrate specificity and configuration control for the regio- and stereoselective peroxygenation catalyzed by the T213M mutant.

Cis-Dioxomolybdenum(VI) complexes with unsymmetric linear tetradentate ligands: Syntheses, structures and bromoperoxidase activities

Kurapati, Sathish Kumar,Pal, Samudranil

, p. 116 - 124 (2016/02/18)

Reactions of [MoO2(acetylacetonate)2], 2-((2-(2-hydroxyethylamino)ethylamino)methyl)-4-R-phenols (H2Ln, n = 1-5 for R = H, Me, OMe, Cl and Br, respectively) and KOH in 1:1:2 mole ratio in methanol afford a series of complexes having the general formula cis-[MoO2(Ln)] (1, 2, 3, 4, 5) in 81-86% yields. The complexes have been characterized using elemental analysis, spectroscopy (infrared, UV-visible, and 1H NMR, 13C NMR and 13C-DEPT NMR) and electrochemical measurements. The molecular structures of 1, 2, 3, 4 have been determined using single-crystal X-ray crystallography. In each of 1, 2, 3, 4, the ONNO-donor 6,5,5-membered fused chelate rings forming (Ln)2- and the two mutually cis oxo groups assemble a distorted octahedral N2O4 coordination sphere around the metal centre. In the crystal lattice, each of 1, 2, 3, 4 forms a one-dimensional infinite chain structure via intermolecular N-H...O hydrogen bonding interactions. In cyclic voltammograms, the diamagnetic complexes display an irreversible metal-centred reduction in the potential range -0.73 to -0.88 V (vs Ag/AgCl). The physicochemical data are consistent with a very similar gross molecular structure for all of 1, 2, 3, 4, 5. All the complexes exhibit decent bromoperoxidase activities and are also able to effectively catalyse benzoin and methyl(phenyl)sulfide oxidation reactions.

Preparation of SnO2/graphene nanocomposite and its application to the catalytic epoxidation of alkenes with H2O2

Liu, Min,Wang, Xiaozhong,Chen, Yingqi,Dai, Liyan

, p. 61481 - 61485 (2015/08/03)

The in situ growth of SnO2 nanoparticles on graphene have been achieved via a hydrothermal method and the nanocomposites were used as an efficient catalyst for the epoxidation of alkenes with aqueous hydrogen peroxide in nitrile based systems for the first time. Furthermore, the SnO2/graphene nanocomposites could be readily recovered and reused for at least ten consecutive cycles without significant loss of activity and selectivity.

Visible light-mediated oxidative quenching reaction to electron-rich epoxides: Highly regioselective synthesis of α-bromo (di)ketones and mechanism study

Guo, Lin,Yang, Chao,Zheng, Lewei,Xia, Wujiong

supporting information, p. 5787 - 5792 (2013/09/12)

A novel and simple procedure was developed for the regioselective synthesis of α-bromo (di)ketones from electron-rich epoxides via visible light photoredox catalysis. Through optimization of solvent and light source, the reaction can be rapidly achieved under mild conditions. Moreover, the possible reaction mechanism was proposed and further supported by control experiments.

Oxidation reactions of some natural volatile aromatic compounds: Anethole and eugenol

Elgendy,Khayyat

experimental part, p. 823 - 829 (2009/07/05)

trans-Anethole [1-methoxy-4-(trans-prop-1-en-1-yl)benzene] was isolated from anise seed oil (Pimpinella anisum). Its photochemical oxidation with hydrogen peroxide gave the corresponding epoxy derivative together with 4-methoxybenzaldehyde. The thermal oxidation of trans-anethole with 3-chloroperoxybenzoic acid at room temperature resulted in the formation of dimeric epoxide, 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane, as the only product. Photochemical oxygenation of trans-anethole in the presence of tetraphenylporphyrin, Rose Bengal, or chlorophyll as sensitizer led to a mixture of 1-(4-methoxyphenyl)prop-2-en-1-yl hydroperoxide and 4-methoxybenzaldehyde. Eugenol was isolated from clove oil [Eugenia caryophyllus (Spreng.)]. It was converted into 2-methoxy-4-(prop-2-en-1-yl)phenyl hydroperoxide by oxidation with hydrogen peroxide under irradiation. Thermal oxidation of eugenol with 3-chloroperoxypenzoic acid at room temperature produced 2-methoxy-4-(oxiran-2- ylmethyl)phenol, while sensitized photochemical oxygenation (in the presence of Rose Bengal or chlorophyll) gave 4-hydroperoxy-2-methoxy-4-(prop-2-en-1-yl) cyclohexa-2,5-dien-1-one.

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