6-Bromo-1-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester - CAS 934161-52-1

Catalog:	BB055266
Product Name:	6-Bromo-1-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester
CAS:	934161-52-1
Synonyms:	6-Bromo-1-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester; ethyl 6-bromo-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-fluoro-4-oxoquinoline-3-carboxylate; (S)-ethyl 6-bromo-1-(1-((tert-butyldimethylsilyl)oxy)-3-methylbutan-2-yl)-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate; 6-Bromo-1-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-7-fluoro-1,4-dihyd

Technical Data

IUPAC Name:	ethyl 6-bromo-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-fluoro-4-oxoquinoline-3-carboxylate
Description:	Used in the preparation of anti-HIV compounds.
Molecular Weight:	514.5
Molecular Formula:	C23H33BrFNO4Si
Canonical SMILES:	CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)Br)F)C(CO[Si](C)(C)C(C)(C)C)C(C)C
InChI:	InChI=1S/C23H33BrFNO4Si/c1-9-29-22(28)16-12-26(19-11-18(25)17(24)10-15(19)21(16)27)20(14(2)3)13-30-31(7,8)23(4,5)6/h10-12,14,20H,9,13H2,1-8H3/t20-/m1/s1
InChI Key:	ABRLFILUFAWDIN-HXUWFJFHSA-N
Solubility:	Dichloromethane, Ethyl Acetate, Methanol

Complexity:	706
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	513.13463
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	513.13463
Rotatable Bond Count:	9
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0