1-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine - CAS 1621519-58-1

Catalog:	BB056391
Product Name:	1-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine
CAS:	1621519-58-1
Synonyms:	1-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine; 1-(3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-methylpiperazine; 2-Methoxy-4-(N-methylpiperazin-1-yl)phenylboronic acid pinacol ester; 1-(3-methoxyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-methylpiperazine

Technical Data

IUPAC Name:	1-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine
Description:	1-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine is used in preparation of Pyrrolopyridines as ERBB modulators for treatment and prevention of cancer.
Molecular Weight:	332.25
Molecular Formula:	C18H29BN2O3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N3CCN(CC3)C)OC
InChI:	InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-7-14(13-16(15)22-6)21-11-9-20(5)10-12-21/h7-8,13H,9-12H2,1-6H3
InChI Key:	CJGRKPIFIPMJIS-UHFFFAOYSA-N
References:	Schultz-Fademrecht, C., et al. Eur. Pat. Appl., (2020).

Complexity:	422
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	332.227123
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	332.227123
Rotatable Bond Count:	3
Topological Polar Surface Area:	34.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0