O-tert-Butyldimethylsilyl-benzyl Alcohol 4-(2,2,2-Trifluoroethanone) - CAS 87736-75-2

Catalog:	BB071766
Product Name:	O-tert-Butyldimethylsilyl-benzyl Alcohol 4-(2,2,2-Trifluoroethanone)
CAS:	87736-75-2
Synonyms:	1-[4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]-2,2,2-trifluoro-ethanone

Technical Data

IUPAC Name:	1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,2-trifluoroethanone
Description:	Intermediate in the preparation of trifluoromethyldiazirine, useful as a photo-induced cross-linking probe for exploring amyloid formation.
Molecular Weight:	318.41
Molecular Formula:	C15H21F3O2Si
Canonical SMILES:	CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F
InChI:	InChI=1S/C15H21F3O2Si/c1-14(2,3)21(4,5)20-10-11-6-8-12(9-7-11)13(19)15(16,17)18/h6-9H,10H2,1-5H3
InChI Key:	PNTKHPCHUVZRCB-UHFFFAOYSA-N
Solubility:	Dichloromethane, Diethyl Ether, Ethyl Acetate, Methanol
Appearance:	Light Yellow Oil
Storage:	Refrigerator
References:	Smith, D. et al; Chem. Comm. 44, 5728 (2008).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	318.12629093
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	318.12629093
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0