(4R,5S)-2,2-Dimethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 3-(1,1-Dimethylethyl) Ester - CAS 223134-87-0

Catalog:	BB058520
Product Name:	(4R,5S)-2,2-Dimethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 3-(1,1-Dimethylethyl) Ester
CAS:	223134-87-0
Synonyms:	3-(1,1-Dimethylethyl) (4R,5S)-2,2-Dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate; Oxazolidine 4R, 5S isomer

Technical Data

IUPAC Name:	(4R,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
Description:	(4R,5S)-2,2-Dimethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 3-(1,1-dimethylethyl) Ester is a reagent for preparing 1,8-naphthyridine-3-carboxamide derivatives with anticancer and anti-inflammatory activities. It can also be used to synthesize taxol derivatives for medical applications.
Molecular Weight:	321.37
Molecular Formula:	C17H23NO5
Canonical SMILES:	CC1(N(C(C(O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m1/s1
InChI Key:	VAHXMEZCPGHDBJ-OLZOCXBDSA-N
Melting Point:	105 - 110oC
Solubility:	Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Refrigerator
References:	Srivastava, S. K., et al. Bioorg. Med. Chem. Lett. 17, 6660 (2007); Wu, K., et al.: Faming Zhuanli Shenqing CN 101062925 A 20071031 (2007).

Complexity:	462
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	321.15762283
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	321.15762283
Rotatable Bond Count:	4
Topological Polar Surface Area:	76.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6