N-Boc-pyrrole-2-boronic Acid Pinacol Ester - CAS 1072944-98-9

Name: N-Boc-pyrrole-2-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002029
Product Name:	N-Boc-pyrrole-2-boronic Acid Pinacol Ester
CAS:	1072944-98-9
Synonyms:	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester; tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate
Description:	N-Boc-pyrrole-2-boronic Acid Pinacol Ester (CAS# 1072944-98-9) is a useful research chemical.
Molecular Weight:	293.17
Molecular Formula:	C15H24NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C(=O)OC(C)(C)C
InChI:	InChI=1S/C15H24BNO4/c1-13(2,3)19-12(18)17-10-8-9-11(17)16-20-14(4,5)15(6,7)21-16/h8-10H,1-7H3
InChI Key:	DZQURIUJAGTAFW-UHFFFAOYSA-N
Solubility:	Slightly soluble in water.
Appearance:	Solid
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD11504960
LogP:	2.57050

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	293.1798384
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	293.1798384
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0