2-(Boc-amino)phenylboronic Acid Pinacol Ester - CAS 159624-15-4

Name: 2-(Boc-amino)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011553
Product Name:	2-(Boc-amino)phenylboronic Acid Pinacol Ester
CAS:	159624-15-4
Synonyms:	N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Description:	2-(Boc-amino)phenylboronic Acid Pinacol Ester (CAS# 159624-15-4) is a useful research chemical.
Molecular Weight:	319.20
Molecular Formula:	C17H26NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C
InChI:	InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChI Key:	LVHGGVGVAUJQBB-UHFFFAOYSA-N
Boiling Point:	383.4 °C at 760 mmHg
Density:	1.07 g/cm³
Appearance:	Brown solid
MDL:	MFCD03411943
LogP:	3.40580

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2019315717-A1	Benzimidazole and indole compounds and uses thereof	20180413
US-10611764-B2	Aryl hydrocarbon receptor ligands from kynurenine	20171109
US-2019135812-A1	Novel aryl hydrocarbon receptor ligands derived from kynurenine	20171109
AU-2016238436-A1	Formylated N-heterocyclic derivatives as FGFR4 inhibitors	20150325
EP-3274344-B1	Formylated n-heterocyclic derivatives as fgfr4 inhibitors	20150325

Complexity:	428
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	319.1954885
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	319.1954885
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0