1-乙酰吲哚

产品名称：

576-15-8
1-Acetylindole
NSC 521758
1-乙酰吲哚

产品介绍：

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	n20/D 1.607 (lit.)
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