(S)-O-(4-Methoxyphenyl)glycidol - CAS 71048-65-2

Catalog:	BB056418
Product Name:	(S)-O-(4-Methoxyphenyl)glycidol
CAS:	71048-65-2
Synonyms:	S)-2-((4-Methoxyphenoxy)methyl)oxirane; (S)-[(4-Methoxyphenoxy)methyl)-Oxirane; (2S)-2-[(4-Methoxyphenoxy)methyl]oxirane

Technical Data

IUPAC Name:	(2S)-2-[(4-methoxyphenoxy)methyl]oxirane
Description:	(S)-O-(4-Methoxyphenyl)glycidol is an intermediate in the synthesis of Prenalterol (P712700), a β1-adrenergic agonist. Prenalterol is used as an cardiotonic.
Molecular Weight:	180.2
Molecular Formula:	C10H12O3
Canonical SMILES:	COC1=CC=C(C=C1)OCC2CO2
InChI:	InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChI Key:	AVWGFHZLPMLKBL-SNVBAGLBSA-N
Solubility:	DCM, Methanol
Appearance:	Pale Yellow Solid
References:	Zhu, C.F., et al. J. Am. Chem. Soc., 134, 8058 (2012); Roy, T., et al. Catal. Sci. Tech., (2014).

Complexity:	152
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