产品价格
| 产品编号 | 品牌 | 包装单位 | 单价(元) | 现货 |
| 3067848 | Sigma-Aldrich | 1 G | 1096 | 请咨询 |
| 3067848 | Sigma-Aldrich | 5 G | 3130 | 请咨询 |
结构式
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基本信息
| Empirical Formula【经验(实验)分子式】 | C10H9NO |
| Molecular weight | 159.18 |
| EC number【EC 号】 | 209-396-1 |
| MDL number | MFCD00038005 |
| PubChem Substance ID【PubChem化学物质编号】 | 24863492 |
| General description【一般描述】 | Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers of 1-acetylindole has been carried out using density functional (DFT/B3LYP) method. Regioselective acylations of 1-acetylindole (N-acetylindole) under Friedel-Crafts reaction has been reported. Reaction of 1-acetylindole with manganese(III) acetate in the presence of malonic acid, is reported to afford 4-acetyl-3,3a,4,8b-tetrahydro-2H-furo[3,2-b]indol-2-one. |
| Application【应用】 | 1-Acetylindole may be used in the stereocontrolled synthesis of (±)-geissoschizine. It may be used in the preparation of (1-acetyl-κO-indolyl-κC2)tetracarbonylmanganese, via a standard cyclomanganation procedure. Reactant for preparation of:
Reactant for:
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| Other Notes【其他说明】 | Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 377104.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
产品性质
| Assay【测定】 | 98% |
| refractive index【折射率】 | n |
| bp | 123-125 ℃/8 mmHg (lit.) |
| density | 1.387 g/mL at 25 ℃ (lit.) |
| storage temp.【储存温度】 | 2-8℃ |
| SMILES string | CC(=O)n1ccc2ccccc12 |
| InChI | 1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3 |
| InChI key | UUCUQJHYUPXDHN-UHFFFAOYSA-N |
| packaging【包装】 | 1, 5 g in glass bottle |
安全信息
| Storage Class Code【储存分类代码】 | 12 - Non Combustible Liquids |
| WGK | WGK 3 |
| Personal Protective Equipment【个人防护装备】 | Eyeshields, Gloves |