N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester - CAS 286961-15-7

Name: N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019918
Product Name:	N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
CAS:	286961-15-7
Synonyms:	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester; benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Technical Data

IUPAC Name:	benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Description:	N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS# 286961-15-7) is a reactant used in the synthesis of potent and orally bioavailable inhibitors of βII tryptase used in the treatment of allergic diseases.
Molecular Weight:	343.23
Molecular Formula:	C19H26NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
InChI Key:	QDSFHRPYZPQWEJ-UHFFFAOYSA-N
Boiling Point:	418.2 °C at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD11521562
LogP:	3.52460

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111217693-A	method for preparing a, Î² -unsaturated carboxylic acid by reacting alkenyl boron compound catalyzed by cuprous halide with carbon dioxide	20200219
CN-112851668-A	ATR inhibitor and application thereof in medicine	20191127
US-2021139517-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
WO-2021092115-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
US-2021130326-A1	Ras inhibitors	20191104

Complexity:	510
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	343.1954885
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	343.1954885
Rotatable Bond Count:	4
Topological Polar Surface Area:	48 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0