1- (Trifluoromethyl) - 1, 2- hydrazinedicarboxyli c Acid 1, 2- Bis(1, 1- dimethylethyl) Ester - CAS 1644529-01-0

Catalog:	BB056997
Product Name:	1- (Trifluoromethyl) - 1, 2- hydrazinedicarboxyli c Acid 1, 2- Bis(1, 1- dimethylethyl) Ester
CAS:	1644529-01-0
Synonyms:	Di-tert-butyl 1-(Trifluoromethyl)hydrazine-1,2-dicarboxylate

Technical Data

IUPAC Name:	tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(trifluoromethyl)carbamate
Description:	1- (Trifluoromethyl) - 1, 2- hydrazinedicarboxyli c Acid 1, 2- Bis(1, 1- dimethylethyl) Ester is an intermediate in synthesizing (Trifluoromethyl)hydrazine Hydrochloride (T791570). It is a derivative of Di-tert-butyl Azodicarboxylate (D427950); a reagent used in the preparation of acyl hydrazinedicarboxylates via photoorganocatalytic hydroacylation of dialkyl azodicarboxylates with aldehydes in presence of phenylglyoxylic acid as photocatalyst.
Molecular Weight:	300.27
Molecular Formula:	C11H19F3N2O4
Canonical SMILES:	CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C(F)(F)F
InChI:	InChI=1S/C11H19F3N2O4/c1-9(2,3)19-7(17)15-16(11(12,13)14)8(18)20-10(4,5)6/h1-6H3,(H,15,17)
InChI Key:	WCGXDMBPSBDJBB-UHFFFAOYSA-N
Solubility:	Dichloromethane
Appearance:	White Solid
References:	Papadopoulos, G. N., et al. Chem. Eur. J., 20, 13811 (2014).

Complexity:	369
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	300.12969158
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	300.12969158
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2