(4S,5R)-4-Formyl-2,2,5-trimethyl-3-oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester - CAS 108149-62-8

Catalog:	BB063512
Product Name:	(4S,5R)-4-Formyl-2,2,5-trimethyl-3-oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester
CAS:	108149-62-8
Synonyms:	(4S-trans)-4-Formyl-2,2,5-trimethyl-3-oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester

Technical Data

IUPAC Name:	tert-butyl (4S,5R)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
Description:	This compound is used in the stereoselective synthesis of (E)-alkene dipeptide isoteres. It is also used in the synthesis of amino sugars and sphingosines.
Molecular Weight:	243.3
Molecular Formula:	C12H21NO4
Canonical SMILES:	CC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)C=O
InChI:	InChI=1S/C12H21NO4/c1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4/h7-9H,1-6H3/t8-,9-/m1/s1
InChI Key:	KDDCJBFJUBOMOR-RKDXNWHRSA-N
References:	Ibuka, T. et al. J. Org. Chem., 56, 4370 (1991); Dondoni, A. et al. J. Org. Chem., 55, 1439 (1990).

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	243.14705815
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.14705815
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5