2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole - CAS 1192056-62-4

Name: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059157
Product Name:	2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole
CAS:	1192056-62-4
Synonyms:	2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE; 2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-OXAZOLE; 2-Methyl-oxazole-5-boronic acid pinacol ester

Technical Data

IUPAC Name:	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Description:	2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole used to prepare difluoromethyl-phenyl triazole which are used as GABA receptor modulators.
Molecular Weight:	209.05
Molecular Formula:	C10H16BNO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(O2)C
InChI:	InChI=1S/C10H16BNO3/c1-7-12-6-8(13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3
InChI Key:	KKXBGDVHCQOKBO-UHFFFAOYSA-N
References:	Larsen, Janus. et al., PCT Int. Appl. (2018).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020231977-A1	Compounds for treating huntington's disease	20190513
AU-2020277027-A1	Compounds for treating huntington's disease	20190513
US-2020148689-A1	Heterocyclic derivatives as pi3k inhibitors	20181113
WO-2020102198-A1	Heterocyclic derivatives as pi3k inhibitors	20181113
US-11078204-B2	Heterocyclic derivatives as PI3K inhibitors	20181113
US-2021395258-A1	Heterocyclic derivatives as pi3k inhibitors	20181113
US-2020024261-A1	Difluoromethyl-phenyl triazoles	20180720
US-10941137-B2	Difluoromethyl-phenyl triazoles	20180720
US-2021147393-A1	Difluoromethyl-phenyl triazoles	20180720
US-10669262-B2	Aminopyrazine diol compounds as PI3K-Î³ inhibitors	20180308

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.1223235
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.1223235
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0