(3R,7aR)-3-(1,1-Dimethylethyl)-7a-ethenyltetrahydro-1-hydroxy-3H,5H-pyrrolo[1,2-c]oxazol-5-one - CAS 1214741-21-5

Catalog:	BB062999
Product Name:	(3R,7aR)-3-(1,1-Dimethylethyl)-7a-ethenyltetrahydro-1-hydroxy-3H,5H-pyrrolo[1,2-c]oxazol-5-one
CAS:	1214741-21-5
Synonyms:	(3R,7aR)-3-(tert-butyl)-1-hydroxy-7a-vinyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one; 3-(1,1-diMethylethyl)-7a-ethenyltetrahydro-1-hydroxy-(3R,7aR)-3H,5H-Pyrrolo[1,2-c]oxazol-5-one; (3R,7aR)-3-(1,1-dimethylethyl)-7a-ethenyltetrahydro-1-hydroxy-3H,5H-Pyrrolo[1,2-c]oxazol-5-one; (3R,7aR)-3-(tert-butyl)-1-hydroxy-7a-vinyltetrahydro-3H,5H-pyrrolo[1,2-c]oxazol-5-one; (3R,7aR)-3-tert-butyl-7a-ethenyl-1-hydroxy-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

Technical Data

IUPAC Name:	(3R,7aR)-3-tert-butyl-7a-ethenyl-1-hydroxy-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
Description:	(3R,7aR)-3-(1,1-Dimethylethyl)-7a-ethenyltetrahydro-1-hydroxy-3H,5H-pyrrolo[1,2-c]oxazol-5-one is a useful intermediate for organic synthesis.
Molecular Weight:	225.28
Molecular Formula:	C12H19NO3
Canonical SMILES:	CC(C)(C)C1N2C(=O)CCC2(C(O1)O)C=C
InChI:	InChI=1S/C12H19NO3/c1-5-12-7-6-8(14)13(12)9(11(2,3)4)16-10(12)15/h5,9-10,15H,1,6-7H2,2-4H3/t9-,10?,12+/m1/s1
InChI Key:	DAGVYBNUTMALEB-MAZPRZIYSA-N
References:	Wu, G. G., et al. From PCT Int. Appl. (2010), WO 2010028232 A1 20100311.

Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	225.13649347
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3