2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester - CAS 1610705-51-5

Name: 2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011696
Product Name:	2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester
CAS:	1610705-51-5
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinecarboxylic acid methyl ester; methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate

Technical Data

IUPAC Name:	methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate
Description:	2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester (CAS# 1610705-51-5) is a useful research chemical.
Molecular Weight:	264.09
Molecular Formula:	C12H17N2O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(=O)OC
InChI:	InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-6-14-9(15-7-8)10(16)17-5/h6-7H,1-5H3
InChI Key:	OMKFGJOPZQLNCN-UHFFFAOYSA-N

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

Publication Number	Title	Priority Date
EP-3412669-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof	20160205
US-2019040063-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation pharmaceutical composition, and application thereof	20160205
WO-2017133681-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof	20160205
AU-2013347539-A1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20121116
EP-2920172-B1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20121116

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.1281372
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.1281372
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0