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2-Methoxybenzaldehyde Sale

(Synonyms: 2-甲氧基苯甲醛; o-Anisaldehyde) 目录号 : GC61899

2-Methoxybenzaldehyde (o-Anisaldehyde) 是从肉桂精油 (CEO) 中分离出来的,具有抗菌和抗真菌活性。

2-Methoxybenzaldehyde Chemical Structure

Cas No.:135-02-4

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500 mg
¥315.00
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产品描述

2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].

References:
[1]. Zhaoxiang Huang, et al. Synergistic effects of cinnamaldehyde and cinnamic acid in cinnamon essential oil against S. pullorum. Industrial Crops and Products, 2021-02-03.
[2]. Sheikh Shreaz, et al. Interesting anticandidal effects of anisic aldehydes on growth and proton-pumping-ATPase-targeted activity. Microb Pathog. 2011 Oct;51(4):277-84.

Chemical Properties

Cas No. 135-02-4 SDF
别名 2-甲氧基苯甲醛; o-Anisaldehyde
Canonical SMILES O=CC1=CC=CC=C1OC
分子式 C8H8O2 分子量 136.15
溶解度 储存条件 4°C, stored under nitrogen
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1 mM 7.3448 mL 36.7242 mL 73.4484 mL
5 mM 1.469 mL 7.3448 mL 14.6897 mL
10 mM 0.7345 mL 3.6724 mL 7.3448 mL
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Research Update

Tetraaquabis(2-Methoxybenzaldehyde isonicotinoylhydrazone)cadmium(II) dinitrate

Acta Crystallogr C 2007 Oct;63(Pt 10):m459-61.PMID:17917218DOI:10.1107/S0108270107044010.

The Cd(II) centre in the title complex, [Cd(C(14)H(13)N(3)O(2))(2)(H(2)O)(4)](NO(3))(2), occupies a crystallographic inversion centre and is coordinated by two donor N atoms from two 2-methoxybenzldehyde isonicotinoylhydrazone ligands and by four O atoms from four coordinated water molecules, giving a slightly distorted octahedral geometry. There is an extended three-dimensional network structure resulting from O-H...O hydrogen bonds between coordinated water and nitrate anions, and between coordinated water and carbonyl O atoms, and from N-H...O hydrogen bonds between NH groups and nitrate O atoms.

trans-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene

Acta Crystallogr C 2000 Mar 15;56(Pt 3):E107-8.PMID:15263219DOI:10.1107/S0108270100001864.

The title compound, C(10)H(8)N(2)O(3), has been prepared by condensation of 2-Methoxybenzaldehyde and nitroacetonitrile in ethanol at room temperature. Its investigation has been undertaken as a part of search for new nonlinear optical compounds. The pi-conjugated molecule is almost planar. Molecules in the crystal are packed in stacks with antiparallel molecular orientation and slightly alternating distances between mean molecular planes.

Synthesis, experimental and computational studies on the anti-corrosion performance of substituted Schiff bases of 2-Methoxybenzaldehyde for mild steel in HCl medium

Sci Rep 2023 Feb 24;13(1):3265.PMID:36828888DOI:10.1038/s41598-023-30396-3.

Corrosion inhibition performance of two synthesized Schiff base ligands; (E)-2-((2-methoxybenzylidene)amino)phenol L1 and (E)-2-((4-methoxybenzylidene)amino)phenol L2 were carried out by weight loss measurement in 0.1 M hydrochloric acid (HCl) solution. Density Functional Theory (DFT) and Molecular dynamics (MD) simulation were applied to theoretically explain the inhibitors' intrinsic properties and adsorption mechanism in the corrosion study. The result of the inhibition performances carried out at varying concentrations and temperatures were compared. The corrosion inhibition efficiencies of L1 and L2 at an optimal concentration of 10 × 10-4 M were 75% and 76%. Langmuir isotherm model fits the data obtained from the experiment with a correlation coefficient (R2) value closer to unity. The adsorption mechanism of inhibitor on the surface of the Fe metal occurred via chemisorption inferred from the Gibbs free energy (ΔGads). Scanning electron microscopy showed a mild degradation on the surface of the mild steel immersed in the L1, and L2 inhibited acid solution, which could be due to surface coverage. The energy dispersive X-ray spectroscopy showed the metal surface's elemental composition and the existence of the chlorine peak, which emanates from the HCl medium. DFT calculations revealed that the hybrid B3LYP functional performed better than the M06-2X meta-functional in estimating the energies of the synthesized Schiff bases for corrosion inhibition as seen in the lower ΔE values of 3.86 eV and 3.81 eV for L1 and L2. The MD simulation revealed that the orientation of inhibitors on the surface of the metal resulted in the coordination bond formation and that the interaction energy of L2 was -746.84 kJ/mol compared to -743.74 kJ/mol of L1. The DFT and MD results agreed with the observed trend of the experimental findings.

A structural study of (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol

Acta Crystallogr C Struct Chem 2015 Jun;71(Pt 6):491-8.PMID:26044332DOI:10.1107/S2053229615009857.

(1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhang et al. (2007). Acta Cryst. E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-Methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca2₁) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O-H···O hydrogen bond.

New Insights on the Vibrational Dynamics of 2-Methoxy-, 4-Methoxy- and 4-Ethoxy-Benzaldehyde from INS Spectra and Periodic DFT Calculations

Materials (Basel) 2021 Aug 13;14(16):4561.PMID:34443083DOI:10.3390/ma14164561.

The dynamics of 2-Methoxybenzaldehyde, 4-methoxybenzaldehyde, and 4-ethoxybenzaldehyde in the solid state are assessed through INS spectroscopy combined with periodic DFT calculations. In the absence of experimental data for 4-ethoxybenzaldehyde, a tentative crystal structure, based on its similarity with 4-methoxybenzaldehyde, is considered and evaluated. The excellent agreement between calculated and experimental spectra allows a confident assignment of the vibrational modes. Several spectral features in the INS spectra are unambiguously assigned and torsional potential barriers for the methyl groups are derived from experimental frequencies. The intramolecular nature of the potential energy barrier for methyl rotation about O-CH3 bonds compares with the one reported for torsion about saturated C-CH3 bonds. On the other hand, the intermolecular contribution to the potential energy barrier may represent 1/3 of the barrier height in these systems.