Potassium (((Tert-butoxycarbonyl)amino)methyl)trifluoroborate - CAS 1314538-55-0

Name: Potassium (((Tert-butoxycarbonyl)amino)methyl)trifluoroborate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB058057
Product Name:	Potassium (((Tert-butoxycarbonyl)amino)methyl)trifluoroborate
CAS:	1314538-55-0
Synonyms:	Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate; Potassium N-Boc-aminomethyltrifluoroborate; potassium; trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide; Potassium {[(tert-butoxycarbonyl)amino]methyl}trifluoroborate; POTASSIUM ((TERT-BUTOXYCARBONYLAMINO)METHYL)TRIFLUOROBORATE; potassium tert-butyl N-[(trifluoroboranuidyl)methyl]carbamate

Technical Data

IUPAC Name:	potassiumtrifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide
Description:	Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate is used in preparation of thienoazepine immunoconjugates for treatment of cancer.
Molecular Weight:	237.06
Molecular Formula:	C6H12BF3KNO2
Canonical SMILES:	[B-](CNC(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI:	InChI=1S/C6H12BF3NO2.K/c1-6(2,3)13-5(12)11-4-7(8,9)10/h4H2,1-3H3,(H,11,12)/q-1+1
InChI Key:	WSOSBCPWIQUNLD-UHFFFAOYSA-N
References:	Safina, B., et al. PCT Int. Appl., (2021).

GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021247809-A1	PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS	20200604
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WO-2021081402-A1	Macromolecule-supported thienoazepine compounds, and uses thereof	20191025
WO-2021081407-A1	Thienoazepine immunoconjugates, and uses thereof	20191025
US-2020377463-A1	Macrocyclic broad spectrum antibiotics	20190528
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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.0550248
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.0550248
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0