1,1,1-Trifluoro-methanesulfonic Acid 5-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-cyclohexen-1-yl Ester - CAS 1803033-59-1

Catalog:	BB057285
Product Name:	1,1,1-Trifluoro-methanesulfonic Acid 5-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-cyclohexen-1-yl Ester
CAS:	1803033-59-1
Synonyms:	5-((t-Butoxycarbonyl)amino)cyclohex-1-en-1-yl Trifluoromethanesulfonate

Technical Data

IUPAC Name:	[5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl] trifluoromethanesulfonate
Description:	1,1,1-Trifluoro-methanesulfonic Acid 5-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-cyclohexen-1-yl Ester is an intermediate in synthesizing tert-Butyl (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamate (T302650), which is a reactant in the preparation of furo[3,2-c]pyridine derivatives as protein kinase inhibitors.
Molecular Weight:	345.34
Molecular Formula:	C12H18F3NO5S
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC=C(C1)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C12H18F3NO5S/c1-11(2,3)20-10(17)16-8-5-4-6-9(7-8)21-22(18,19)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,17)
InChI Key:	XGVCNVDOXAGSBO-UHFFFAOYSA-N
Solubility:	Dichloromethane, Methanol
Appearance:	Pale Brown Solid

Complexity:	543
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	345.08577833
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	345.08577833
Rotatable Bond Count:	5
Topological Polar Surface Area:	90.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3