1-(Trimethylsilyl)-1-propyn-3-yl Tosylate - CAS 71321-16-9

Catalog:	BB060113
Product Name:	1-(Trimethylsilyl)-1-propyn-3-yl Tosylate
CAS:	71321-16-9
Synonyms:	3-(Trimethylsilyl)-2-propyn-1-ol 4-Methylbenzenesulfonate

Technical Data

IUPAC Name:	4-methylbenzenesulfonic acid3-trimethylsilylprop-2-yn-1-ol
Description:	1-(Trimethylsilyl)-1-propyn-3-yl tosylate is used as a reagent to synthesize substituted anthracenes (e.g. B415000). 1-(Trimethylsilyl)-1-propyn-3-yl tosylate is also used as a reagent to synthesize (+)-crocacin A, a potent antifungal and cytotoxic agent.
Molecular Weight:	282.43
Molecular Formula:	C13H18O3SSi
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)O.C[Si](C)(C)C#CCO
InChI:	InChI=1S/C7H8O3S.C6H12OSi/c1-6-2-4-7(5-3-6)11(8,9)101-8(2,3)6-4-5-7/h2-5H,1H3,(H,8,9,10)7H,5H2,1-3H3
InChI Key:	NRSMBMYRUTZFJQ-UHFFFAOYSA-N
References:	Chakraborty, T. & Laxman, P. Tetrahedron Lett., 44, 4989 (2003); Saino, N., et al. Tetrahedron Lett., 51, 1313 (2010).

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	300.08515682
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	300.08515682
Rotatable Bond Count:	2
Topological Polar Surface Area:	83Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0