2-(4- lsobutoxyphenol)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1421597-99-0

Catalog:	BB066222
Product Name:	2-(4- lsobutoxyphenol)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	1421597-99-0
Synonyms:	2-(4-Isobutoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4,4,5,5-TETRAMETHYL-2-[4-(2-METHYLPROPOXY)PHENYL]-1,3,2-DIOXABOROLANE; 2-(4-Lsobutoxyphenol)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4- Lsobutoxyphenol)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-[4-(2-methylpropoxy)phenyl]-1,3,2-dioxaborolane
Description:	(S)-2-(1,3-Dioxo-1,3-Dihydro-isoindol-2-yl)-propionyl Chloride is a useful research chemical compound used as a reactant in the preparation of chiral (amino)azetidinone derivatives (β-lactams).
Molecular Weight:	276.18
Molecular Formula:	C16H25BO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC(C)C
InChI:	InChI=1S/C16H25BO3/c1-12(2)11-18-14-9-7-13(8-10-14)17-19-15(3,4)16(5,6)20-17/h7-10,12H,11H2,1-6H3
InChI Key:	DRPZOIZUPAZNPL-UHFFFAOYSA-N
References:	Zhang, Q., et al. Angew Chem. Int. Ed. Engl. 52, 51, 13588-92, (2013).

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.1896748
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.1896748
Rotatable Bond Count:	4
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0