438626
4-Hydroxy-3-nitrocoumarin
98%
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About This Item
Empirical Formula (Hill Notation):
C9H5NO5
CAS Number:
Molecular Weight:
207.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
SMILES string
OC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
InChI key
NZQAQAUWFHMVEM-UHFFFAOYSA-N
assay
98%
mp
172 °C (dec.) (lit.)
functional group
ester, ketone, nitro
Quality Level
Related Categories
General description
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.
Application
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
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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
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)
Investigations of pyrans and related compounds.
Savel'ev VL, et al.
Chemistry of Heterocyclic Compounds, 9(7), 816-820 (1973)
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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