(2S)-(+)-Glycidyl Tosylate - CAS 70987-78-9

Name: (2S)-(+)-Glycidyl Tosylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB064452
Product Name:	(2S)-(+)-Glycidyl Tosylate
CAS:	70987-78-9
Synonyms:	(2S)-2-Oxiranemethanol 2-(4-Methylbenzenesulfonate); (+)-Glycidyl Tosylate; (S)-(+)-Oxiran-2-ylmethyl 4-Methylbenzenesulfonate; (S)-Oxiran-2-ylmethyl Toluene-4-sulfonate; (S)-Toluene-4-sulfonic Scid Oxiranylmethyl Ester; (S)-(2,3-Epoxypropan-1-yl) 4-Methylbenzenesulfonate

Technical Data

IUPAC Name:	[(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate
Description:	Protected Glycidol, used as an intermediate in the preparation of neurochemicals.
Molecular Weight:	228.26
Molecular Formula:	C10H12O4S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OCC2CO2
InChI:	InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1
InChI Key:	NOQXXYIGRPAZJC-VIFPVBQESA-N
Melting Point:	41-43°C
Solubility:	Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C Freezer
References:	Wang, J., et al. J. Med. Chem., 48, 6271 (2005), Qian, L., et al. ChemMedChem, 1, 376 (2006), Li, Y., et al. Bioorg. Med. Chem. Lett., 19, 5037 (2009),.

GHS Hazard Statement:	H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P203, P261, P264+P265, P272, P273, P280, P281, P302+P352, P305+P354+P338, P317, P318, P321, P333+P313, P362+P364, P391, P405, and P501
Signal Word:	Danger

Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	228.04563003
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.04563003
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1