N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester - CAS 1175298-09-5

Name: N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB003953
Product Name:	N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester
CAS:	1175298-09-5
Synonyms:	N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
Description:	N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester (CAS# 1175298-09-5) is a reactant in the preparation of furo[3,2-c]pyridine derivatives as protein kinase inhibitors.
Molecular Weight:	323.24
Molecular Formula:	C17H30NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCCC(C2)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h9,13H,8,10-11H2,1-7H3,(H,19,20)
InChI Key:	MFPBSOYHSNYOKC-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	3.82580

Publication Number	Title	Priority Date
WO-2021207549-A1	Kinase inhibitors	20200410
WO-2019056466-A1	Bruton tyrosine kinase inhibitor	20170920
EP-3330271-A1	PYRROLO[2,3-d]PYRIMIDINE COMPOUND OR SALT THEREOF	20150731
JP-6438585-B2	A pyrrolo [2,3-d] pyrimidine compound or a salt thereof	20150731
JP-WO2017022648-A1	A pyrrolo [2,3-d] pyrimidine compound or a salt thereof	20150731

Complexity:	477
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.2267886
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	323.2267886
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0