2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 212127-80-5

Name: 2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB067665
Product Name:	2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	212127-80-5
Synonyms:	2-(2,5-Dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is derived from 3-Oxotetrahydrofuran (O870480), which is a reagent in the preparation of dihydropteridinone which are orally active Polo-like kinase-2 (Plk-2) inhibitors.
Molecular Weight:	196.05
Molecular Formula:	C10H17BO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCOC2
InChI:	InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5H,6-7H2,1-4H3
InChI Key:	FCRCZWHPQMJOSH-UHFFFAOYSA-N
References:	Bowers, S., et al. Bioorg. Med. Chem. Lett., 23, 2743 (2013); Kovari, E., et al. Brain Res. Bull., 80, 203 (2009).

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

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.1270746
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.1270746
Rotatable Bond Count:	1
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0