438626
4-羟基-3-硝基香豆素
98%
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关于此项目
经验公式（希尔记法）:
C9H5NO5
化学文摘社编号:
分子量:
207.14
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
方案
98%
mp
172 °C (dec.) (lit.)
官能团
ester
ketone
nitro
SMILES字符串
OC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
InChI
1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
InChI key
NZQAQAUWFHMVEM-UHFFFAOYSA-N
一般描述
4-Hydroxy-3-nitrocoumarin is a coumarin derivative and its cytotoxic action against cultured human tumor and normal cells has been investigated. It can be prepared by the nitration of 4-hydroxycoumarin in glacial acetic acid by using 72% HNO3.
应用
4-Hydroxy-3-nitrocoumarin may be used as starting reagent for the synthesis of following compounds:
- 4-chloro-3-nitrocoumarin
- 2-unsubstituted 3-nitrochromone
- 4-amino-3-nitrocoumarins
警示用语：
Danger
危险声明
危险分类
Acute Tox. 3 Oral
储存分类代码
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
法规信息
新产品
此项目有
Investigations of pyrans and related compounds.
Savel'ev VL, et al.
Chemistry of Heterocyclic Compounds, 9(7), 816-820 (1973)
Synthesis of heteroannulated 3-nitro-and 3-aminopyridines by cyclocondensation of electron-rich aminoheterocycles with 3-nitrochromone.
Iaroshenko VO, et al.
Tetrahedron, 68(11), 2532-2543 (2012)
Masami Kawase et al.
In vivo (Athens, Greece), 19(4), 705-711 (2005-07-08)
A preliminary exploration of coumarin derivatives as novel multidrug resistance (MDR) modulators was carried out to determine the basic features of the structure responsible for the MDR reversal activity. Among 44 coumarins, 14 compounds moderately induced the reversal of MDR
Biljana R Dekić et al.
Molecules (Basel, Switzerland), 15(4), 2246-2256 (2010-04-30)
Synthesis, spectral analysis and bioactivity of new coumarin derivatives are described in this paper. Eight new coumarin derivatives were synthesized in moderate to good yields by condensation of 4-chloro-3-nitrocoumarin and the corresponding heteroarylamine. The synthesized compounds were tested for their
Vidoslav Dekić et al.
Magnetic resonance in chemistry : MRC, 48(11), 896-902 (2010-09-08)
Herein, we describe the synthesis and complete assignment of the (1)H and (13)C NMR chemical shifts of a series of antimicrobial 4-arylamino-3-nitrocoumarin derivatives based on a combination of (1)H and (13)C NMR, (1)H-(1)H-COSY, NOESY, HSQC and HMBC experiments. Conformational effects
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