2-Methylanisole
(Synonyms: 邻甲基苯甲醚) 目录号 : GC61733
2-Methylanisole是一种单甲氧基苯，可作为合成有甲基对苯二酚为核心的化合物的中间体(intermediate)。
Cas No.:578-58-5
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
2-Methylanisole is a monomethoxybenzene and acts as an intermediate for the preparation of compounds with methylhydroquinone core [1].
[1]. James RVyvyan, et al. Total synthesis of (±)-heliannuol D, an allelochemical from Helianthus annuus. Tetrahedron Letters. Volume 41, Issue 8, 19 February 2000
| Cas No. | 578-58-5 | SDF | |
| 别名 | 邻甲基苯甲醚 | ||
| Canonical SMILES | CC1=C(C=CC=C1)OC | ||
| 分子式 | C8H10O | 分子量 | 122.16 |
| 溶解度 | DMSO : 100 mg/mL (818.60 mM; Need ultrasonic) | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 8.186 mL | 40.9299 mL | 81.8599 mL |
| 5 mM | 1.6372 mL | 8.186 mL | 16.372 mL |
| 10 mM | 0.8186 mL | 4.093 mL | 8.186 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Rotationally resolved electronic spectra of 2- and 3-methylanisole in the gas phase: a study of methyl group internal rotation
J Phys Chem B 2006 Oct 12;110(40):19914-22.PMID:17020377DOI:10.1021/jp062050h.
Rotationally resolved fluorescence excitation spectra of several torsional bands in the S1 <-- S0 electronic spectra of 2-Methylanisole (2MA) and 3-methylanisole (3MA) have been recorded in the collision-free environment of a molecular beam. Some of the bands can be fit with rigid rotor Hamiltonians; others exhibit perturbations produced by the coupling between the internal rotation of the methyl group and the overall rotation of the entire molecule. Analyses of these data show that 2MA and 3MA both have planar heavy-atom structures; 2MA has trans-disposed methyl and methoxy groups, whereas 3MA has both cis- and trans-disposed substituents. The preferred orientations (staggered or eclipsed) in two of the conformers and the internal rotation barriers of the methyl groups in all three conformers change when they are excited by light. Additionally, the values of the barriers opposing their motion depend on the relative positions of the substituent groups, in both electronic states. In contrast, no torsional motions of the attached methoxy groups were detected. Possible reasons for these behaviors are discussed.
Characterization of hallucinogenic phenethylamines using high-resolution mass spectrometry for non-targeted screening purposes
Drug Test Anal 2017 Oct;9(10):1620-1629.PMID:28133938DOI:10.1002/dta.2171.
Hallucinogenic phenethylamines such as 2,5-dimethoxyphenethylamines (2C-X) and their N-(2-methoxybenzyl) derivatives (25X-NBOMe) have seen an increase in novel analogues in recent years. These rapidly changing analogues make it difficult for laboratories to rely on traditional targeted screening methods to detect unknown new psychoactive substances (NPS). In this study, twelve 2C-X, six 2,5-dimethoxyamphetamines (DOX), and fourteen 25X-NBOMe derivatives, including two deuterated derivatives (2C-B-d6 and 25I-NBOMe-d9 ), were analyzed using ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS). Collision-induced dissociation (CID) experiments were performed using collision energies set at 10, 20, and 40 eV. For 2C-X and DOX derivatives, common losses were observed including neutral and radical losses such as NH3 (17.0265 Da), •CH6 N (32.0500 Da), C2 H7 N (45.0578 Da) and C2 H9 N (47.0735 Da). 2C-X derivatives displayed common product ions at m/z 164.0837 ([C10 H12 O2 ]+• ), 149.0603 ([C9 H9 O2 ]+ ), and 134.0732 ([C9 H10 O]+• ) while DOX derivatives had common product ions at m/z 178.0994 ([C11 H14 O2 ]+• ), 163.0754 ([C10 H11 O2 ]+ ), 147.0804 ([C10 H11 O]+ ), and 135.0810 ([C9 H11 O]+ ). 25X-NBOMe had characteristic product ions at m/z 121.0654 ([C8 H9 O]+ ) and 91.0548 ([C7 H7 ]+ ) with minor common losses corresponding to 2-Methylanisole (C8 H10 O, 122.0732 Da), 2-methoxybenzylamine (C8 H11 NO, 137.0847 Da), and •C9 H14 NO (152.1074 Da). Novel analogues of the selected classes can be detected by applying neutral loss filters (NLFs) and extracting the common product ions. Copyright © 2017 John Wiley & Sons, Ltd.
Green-solvent Processable Dopant-free Hole Transporting Materials for Inverted Perovskite Solar Cells
Angew Chem Int Ed Engl 2023 Mar 6;62(11):e202218752.PMID:36648451DOI:10.1002/anie.202218752.
The commercialization of perovskite solar cells (PVSCs) urgently requires the development of green-solvent processable dopant-free hole transporting materials (HTMs). However, strong intermolecular interactions that ensure high hole mobility always compromise the solubility and film-forming ability in green solvents. Herein, we show a simple but effective design strategy to solve this trade-off, that is, constructing star-shaped D-A-D structure. The resulting HTMs (BTP1-2) can be processed by green solvent of 2-Methylanisole (2MA), a kind of food additive, and show high hole mobility and multiple defect passivation effects. An impressive efficiency of 24.34 % has been achieved for 2MA-processed BTP1 based inverted PVSCs, the highest value for green-solvent processable HTMs so far. Moreover, it is manifested that the charge separation of D-A type HTMs at the photoinduced excited state can help to passivate the defects of perovskites, indicating a new HTM design insight.
Chemoenzymatic collective synthesis of optically active hydroxyl(methyl)tetrahydronaphthalene-based bioactive terpenoids
Org Biomol Chem 2015 Dec 14;13(46):11331-40.PMID:26419842DOI:10.1039/c5ob01740h.
Starting from succinic anhydride and 2-Methylanisole, a chemoenzymatic collective formal/total synthesis of several optically active tetrahydronaphthalene based bioactive natural products has been presented via advanced level common precursors; the natural product and antipode (-)/(+)-aristelegone B. Regioselective benzylic oxidations, stereoselective introduction of hydroxyl groups at the α-position of ketone moiety in syn-orientation, efficient enzymatic resolutions with high enantiomeric purity, stereoselective reductions, samarium iodide induced deoxygenations and tandem acylation-Wittig reactions without racemization and/or eliminative aromatization were the key features. An attempted diastereoselective synthesis of (±)-vallapin has also been described.
Green-Solvent Engineering for Depositing Qualified Phenyl-C61-butyl Acid Methyl Ester Films for Inverted Flexible Perovskite Solar Cells
ACS Appl Mater Interfaces 2023 Jan 11;15(1):1042-1052.PMID:36574762DOI:10.1021/acsami.2c17694.
Flexible perovskite solar cells (fPSCs) with the inverted structure (p-i-n structure) show a promising commercialization future, owing to their lightweight and high efficiencies. Phenyl-C61-butyric-acid methyl ester (PCBM) is widely used as the n-type material due to its excellent conductivity and solvent processability. However, the commonly used chlorobenzene (CB), as the solvent of PCBM solution, is well recognized as a halogenated contaminant in the environment and is harmful to human health. There is an imperative need to develop nonhalogenated green solvents to replace CB. This work discusses the selection of green solvents based on the Hansen solubility parameters (HSPs). It is found that 2-Methylanisole (2-MEA) acts as an excellent alternative to CB, with which high-quality PCBM films could be deposited. The experimental and theoretical studies demonstrate that 2-MEA can suppress the formation of PCBM aggregations during the solvation process compared with CB. The more uniform PCBM film achieved from the 2-MEA solution benefits carrier extraction at the electronic transport layer (ETL)/perovskite interface. As a result, better efficiencies are received among fPSCs based on the 2-MEA-processed PCBM, superior to that of the fPSCs based on the CB-processed PCBM. Moreover, using 1,8-diiodooctane (DIO) as a solvent additive is proven to further increase the solubility of PCBM in the 2-MEA solution, resulting in enhanced efficiencies of the flexible PSCs by more than 5% (from 19.25 to 20.30%). The developed green-solvent strategy is of great importance for the future large-scale production of environmentally sustainable fPSCs.