Mesitaldehyde
(Synonyms: 2,4,6-三甲基苯甲醛; 2,4,6-Trimethylbenzaldehyde) 目录号 : GC61044
Mesitaldehyde是一种内源性代谢产物。
Cas No.:487-68-3
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >95.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Mesitaldehyde is an endogenous metabolite.
| Cas No. | 487-68-3 | SDF | |
| 别名 | 2,4,6-三甲基苯甲醛; 2,4,6-Trimethylbenzaldehyde | ||
| Canonical SMILES | O=CC1=C(C)C=C(C)C=C1C | ||
| 分子式 | C10H12O | 分子量 | 148.2 |
| 溶解度 | 储存条件 | 4°C, stored under nitroge | |
| 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 | 6.7476 mL | 33.7382 mL | 67.4764 mL |
| 5 mM | 1.3495 mL | 6.7476 mL | 13.4953 mL |
| 10 mM | 0.6748 mL | 3.3738 mL | 6.7476 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。
Extending mechanochemical porphyrin synthesis to bulkier aromatics: tetramesitylporphyrin
Beilstein J Org Chem 2019 May 22;15:1149-1153.PMID:31164951DOI:10.3762/bjoc.15.111.
Aldehydes with bulky substituents in the ortho-positions have been historically difficult in porphyrin synthesis, presumably owing to steric hindrance around the reactive site. We have used mechanochemistry for the simple, room-temperature synthesis of tetra-meso-substituted porphyrins. In the present study, Mesitaldehyde undergoes acid-catalyzed mechanochemical condensation with pyrrole to give meso-tetrakis[2,4,6-(trimethyl)phenyl]porphyrin (TMP) after oxidation in solution. Yields are similar to those obtained using high-temperature porphyrin synthesis, although they remain significantly lower than some optimized room-temperature, solution-based methods. Yields of the mechanochemical synthesis were found to increase slightly upon longer exposure to an organic oxidizing agent in solution. This indicates that the mechanochemical condensation step may be more successful than initially realized. This work shows that mechanochemistry is a successful, simple, room-temperature method for producing tetra-meso-substituted porphyrins with bulky substituents.
Online Volatile Compound Emissions Analysis Using a Microchamber/Thermal Extractor Coupled to Proton Transfer Reaction-Mass Spectrometry
Anal Chem 2022 Dec 20;94(50):17354-17359.PMID:36481090DOI:10.1021/acs.analchem.2c03454.
Indoor air is a complex and dynamic mixture comprising manifold volatile organic compounds (VOCs) that may cause physiological and/or psychological discomfort, depending on the nature of exposure. This technical note presents a novel approach to analyze VOC emissions by coupling a microchamber/thermal extractor (μ-CTE) system to a proton transfer reaction-mass spectrometer (PTR-MS). This configuration provides an alternative to conventional emissions testing of small objects. The dynamic emission profiles of VOCs from a representative 3D-printed model are presented as a proof-of-concept analysis. Emission profiles are related to the target compound volatility, whereby 2-propanol and acetaldehyde exhibited the highest emissions and most rapid changes compared to the less volatile vinyl crotonate, 2-hydroxymethyl methacrylate, and Mesitaldehyde, which were present at lower concentrations and showed different dynamics. Comparative measurements of the emission profiles of these compounds either with or without prior static equilibration yielded stark differences in their dynamics, albeit converging to similar values after 15 min of sampling time. Further, the utility of this system to determine the time required to capture a specific proportion of volatile emissions over the sampling period was demonstrated, with a mean duration of 8.4 ± 0.3 min to sample 50% of emissions across all compounds. This novel configuration provides a means to characterize the dynamic nature of VOC emissions from small objects and is especially suited to measuring highly volatile compounds, which can present a challenge for conventional sampling and analysis approaches. Further, it represents an opportunity for rapid, targeted emissions analyses of products to screen for potentially harmful volatiles.
Synthesis, molecular structure, spectroscopic properties and stability of (Z)-N-methyl-C-2,4,6-trimethylphenylnitrone
Spectrochim Acta A Mol Biomol Spectrosc 2015 Feb 5;136 Pt C:1857-68.PMID:25467680DOI:10.1016/j.saa.2014.10.096.
New N-methyl-C-2,4,6-trimethylphenylnitrone 1 has been synthesized starting from N-methylhydroxylamine and Mesitaldehyde. The product was fully characterized using different spectroscopic techniques; FTIR, NMR, UV-Vis, high resolution mass spectrometry and X-ray diffraction. The relative stability and percent of population of its two possible isomers (E and Z) were calculated using the B3LYP/6-311++G(d,p) method in gas phase and in solution. In agreement with the X-ray results, it was found that Z-isomer is the most stable one in both gas phase and solution. The molecular geometry, vibrational frequencies, gauge-including atomic orbital (GIAO), and chemical shift values were also calculated using the same level of theory. The TD-DFT results of the studied nitrone predicted a π-π(∗) transition band at 285.1nm (fosc=0.3543) in the gas phase. The rest of the spectral bands undergo either hyperchromic or hypsochromic shifts in the presence of solvent. Polarizability and HOMO-LUMO gap values were used to predict the nonlinear optical properties (NLO) of the studied compound. NBO analysis has been used to determine the most accurate Lewis structure of the studied molecule.
Catalytic diboration of aldehydes via insertion into the copper-boron bond
J Am Chem Soc 2006 Aug 30;128(34):11036-7.PMID:16925416DOI:10.1021/ja064019z.
Mesitaldehyde reacts cleanly with (IPr)CuB(pin) [IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); pin = 2,3-dimethyl-2,3-butanediolate] to afford the product complex 1, the first well-defined product of carbonyl group insertion into a metal-boron bond. Analysis of 1 by NMR spectroscopy and single-crystal X-ray diffraction indicates the formation of a copper-carbon and a boron-oxygen bond. A copper(I) precatalyst supported by the less sterically demanding ligand ICy (1,3-dicyclohexylimidazol-2-ylidene) achieves the efficient 1,2-diboration of aryl-, heteroaryl-, and alkyl-substituted aldehydes at room temperature.
N-Confused Tetraphenylporphyrin and Tetraphenylsapphyrin Formation in One-Flask Syntheses of Tetraphenylporphyrin
J Org Chem 1999 Mar 5;64(5):1596-1603.PMID:11674224DOI:10.1021/jo982068r.
The yields of tetraphenylporphyrin (TPP), N-confused tetraphenylporphyrin (NC-TPP), and tetraphenylsapphyrin (TPS) were examined under diverse conditions in the one-flask room-temperature reaction of pyrrole and benzaldehyde. The conditions examined included TFA and BF(3)-etherate catalysis, acid concentrations, pyrrole and benzaldehyde concentrations, pyrrole:benzaldehyde ratios, the addition of salt, and reaction times. The quantities of TPP, NC-TPP, and TPS were determined by HPLC. The yield of NC-TPP mirrored that of TPP during systematic variation of reaction parameters but was consistently lower (Mesitaldehyde and pyrrole under BF(3)-ethanol cocatalysis. Examination of the Adler reaction of benzaldehyde and pyrrole revealed the presence of NC-TPP and TPS in the filtrate but not in the crystalline TPP material. The substantial chromatographic differences between the porphyrins and N-confused porphyrins make for straightforward isolation of the purified porphyrin devoid of contaminating N-confused porphyrin. These studies indicate that the scope of conditions yielding NC-TPP is extremely broad.