tert-Butyl (5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) Phenyl Carbamate - CAS 1269440-69-8

Catalog:	BB057717
Product Name:	tert-Butyl (5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) Phenyl Carbamate
CAS:	1269440-69-8
Synonyms:	tert-Butyl (5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate; Carbamicacid,N-[5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethylester; CarbaMic acid, N-[5-chloro-2-fluoro-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-diMethylethyl ester

Technical Data

IUPAC Name:	tert-butyl N-[5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Description:	tert-Butyl (5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate is used as a reactant in the synthesis of BRAF-kinase inhibitors.
Molecular Weight:	371.64
Molecular Formula:	C17H24BClFNO4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)NC(=O)OC(C)(C)C)Cl
InChI:	InChI=1S/C17H24BClFNO4/c1-15(2,3)23-14(22)21-12-9-10(19)8-11(13(12)20)18-24-16(4,5)17(6,7)25-18/h8-9H,1-7H3,(H,21,22)
InChI Key:	CVZYUPSHMKRFAB-UHFFFAOYSA-N
References:	Repik, Alexey E., et al. PCT Int. Appl., WO 2017146604 A1 20170831 (2017).

Complexity:	495
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	371.1470943
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	371.1470943
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0