产品说明
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.
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:
- Antimycobacterial agents
- Cyclin-dependent kinase (CDK2) inhibitors
Reactant for:
- C3-C3 oxidative cross-coupling reactions
包装
1, 5 g in glass bottle
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.
基本信息
| 经验(实验)分子式 | C10H9NO |
| 分子量 | 159.18 |
| EC 号 | 209-396-1 |
| MDL编号 | MFCD00038005 |
| PubChem化学物质编号 | 24863492 |
产品性质
| 测定 | 98% |
| 折射率 | n |
| bp | 123-125 ℃/8 mmHg (lit.) |
| 密度 | 1.387 g/mL at 25 ℃ (lit.) |
| 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 |
安全信息
| 储存分类代码 | 12 - Non Combustible Liquids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
| 个人防护装备 | Eyeshields, Gloves |
