377104
1-乙酰吲哚
98%
别名:
NSC 521758
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关于此项目
经验公式（希尔记法）:
C10H9NO
化学文摘社编号:
分子量:
159.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-396-1
MDL number:
Assay:
98%
Form:
liquid
Quality Segment
assay
98%
form
liquid
refractive index
n20/D 1.607 (lit.)
bp
123-125 °C/8 mmHg (lit.)
density
1.387 g/mL at 25 °C (lit.)
storage temp.
2-8°C
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
General description
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
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:
- Antimycobacterial agents
- Cyclin-dependent kinase (CDK2) inhibitors
Reactant for:
- C3-C3 oxidative cross-coupling reactions
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves