1-Methyl-3-pyrroleboronic Acid Pinacol Ester - CAS 953040-54-5

Catalog:	BB041680
Product Name:	1-Methyl-3-pyrroleboronic Acid Pinacol Ester
CAS:	953040-54-5
Synonyms:	1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole; 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
Description:	1-Methyl-3-pyrroleboronic Acid Pinacol Ester (CAS# 953040-54-5) is a useful research chemical.
Molecular Weight:	207.08
Molecular Formula:	C11H18NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(C=C2)C
InChI:	InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9/h6-8H,1-5H3
InChI Key:	SYAMJGBBLFTQTK-UHFFFAOYSA-N
MDL:	MFCD13182200
LogP:	1.32430

Publication Number	Title	Priority Date
WO-2021197276-A1	Amide compounds and uses thereof	20200330
WO-2021104441-A1	Polyaromatic compound as egfr kinase inhibitor	20191129
WO-2020108579-A1	Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof	20181128
CN-111712490-A	Amino-substituted pyridone derivatives, preparation method and medical application thereof	20181128
JP-2020503348-A	Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication	20170103

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[1646563-27-0]
Methyl 2-(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)acetate
[922706-40-9]
Fluorene-2-boronic Acid Pinacol Ester
[80041-89-0]
Isopropylboronic Acid

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.1430590
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.1430590
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0