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About This Item
Empirical Formula (Hill Notation):
C31H52O3
CAS Number:
Molecular Weight:
472.74
EC Number:
231-710-0
UNSPSC Code:
12352200
MDL number:
Beilstein/REAXYS Number:
97512
InChI
1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
InChI key
ZAKOWWREFLAJOT-CEFNRUSXSA-N
SMILES string
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1
assay
96%
refractive index
n20/D 1.496 (lit.)
bp
224 °C/0.3 mmHg (lit.)
density
0.953 g/mL at 25 °C (lit.)
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Dorota Olender et al.
European journal of medicinal chemistry, 44(2), 645-652 (2008-07-02)
Some new nitroimidazole derivatives have been synthesized by treating 4,5-dinitro- and 2-methyl-4,5-dinitroimidazoles with epoxypropane, epichlorohydrin or phenacyl bromide in alkylation reactions. The nitro group in N-substituted 4,5-dinitro- and 2-methyl-4,5-dinitroimidazoles has been replaced with primary and secondary amines to afford 4-amino-5-nitroimidazole
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