1-(2-Methoxyethyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 847818-71-7

Name: 1-(2-Methoxyethyl)pyrazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037309
Product Name:	1-(2-Methoxyethyl)pyrazole-4-boronic Acid Pinacol Ester
CAS:	847818-71-7
Synonyms:	1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Technical Data

IUPAC Name:	1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Description:	1-(2-Methoxyethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 847818-71-7) is a useful research chemical.
Molecular Weight:	252.12
Molecular Formula:	C12H21N2O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCOC
InChI:	InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-7-16-5/h8-9H,6-7H2,1-5H3
InChI Key:	NZMICYAXDXTDJV-UHFFFAOYSA-N
Boiling Point:	356.4 °C at 760 mmHg
Density:	1.07 g/cm³
MDL:	MFCD12405649
LogP:	0.82870

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021087112-A1	Condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase	20191030
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2020239656-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of hepatitis b	20190529
CN-113166109-A	Aminopyridine compound and preparation method and application thereof	20181228
KR-20210079318-A	H4 antagonist compounds	20181019

Complexity:	283
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.1645227
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.1645227
Rotatable Bond Count:	4
Topological Polar Surface Area:	45.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0