3-Acrylamidophenylboronic Acid Pinacol Ester - CAS 874363-18-5

Name: 3-Acrylamidophenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB038454
Product Name:	3-Acrylamidophenylboronic Acid Pinacol Ester
CAS:	874363-18-5
Synonyms:	N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propenamide; N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide

Technical Data

IUPAC Name:	N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
Description:	3-Acrylamidophenylboronic Acid Pinacol Ester (CAS# 874363-18-5) is a useful research chemical.
Molecular Weight:	273.14
Molecular Formula:	C15H20NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C=C
InChI:	InChI=1S/C15H20BNO3/c1-6-13(18)17-12-9-7-8-11(10-12)16-19-14(2,3)15(4,5)20-16/h6-10H,1H2,2-5H3,(H,17,18)
InChI Key:	WKGCJEIDCOQEPG-UHFFFAOYSA-N
Boiling Point:	437.4±37.0 °C (Predicted)
Melting Point:	160 °C
Purity:	> 98.0 % (GC)
Density:	1.07±0.1 g/cm³(Predicted)
Appearance:	White to light yellow powder to crystal
LogP:	2.18330

Publication Number	Title	Priority Date
WO-2021207549-A1	Kinase inhibitors	20200410
CN-110845474-A	Target I-type PRMT compound and preparation method and application thereof	20191107
CN-110845474-B	Target I-type PRMT compound and preparation method and application thereof	20191107
WO-2021088885-A1	Compound targeting type i prmt, preparation method therefor, and application thereof	20191107
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Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.1536237
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.1536237
Rotatable Bond Count:	3
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0