(S)-2-(2,3-Epoxypropoxy) Anisole - CAS 61248-99-5

Catalog:	BB055981
Product Name:	(S)-2-(2,3-Epoxypropoxy) Anisole
CAS:	61248-99-5
Synonyms:	(2S)-2-[(2-Methoxyphenoxy)methyl]oxirane; (+)-(S)-1,2-Epoxy-3-(2-methoxyphenoxy)propane; (2S)-2-[(2-Methoxyphenoxy)methyl]oxirane

Technical Data

IUPAC Name:	(2S)-2-[(2-methoxyphenoxy)methyl]oxirane
Description:	(S)-2-(2,3-Epoxypropoxy) Anisole is an intermediate in the synthesis of Levomoprolol (L375870) which is a beta adrenergic antagonist and used in the topical treatment of glaucoma.
Molecular Weight:	180.2
Molecular Formula:	C10H12O3
Canonical SMILES:	COC1=CC=CC=C1OCC2CO2
InChI:	InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChI Key:	RJNVSQLNEALZLC-QMMMGPOBSA-N
References:	Kamal, et al. Tetrahedron: Asymmetry 16, 1485 (2005); Gianesello, V., et al.: J. Chromatogr. 473, 343 (1989).

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	31Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6