1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)pyrrolidine - CAS 1356111-39-1

Catalog:	BB076778
Product Name:	1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)pyrrolidine
CAS:	1356111-39-1
Synonyms:	1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]pyrrolidine

Technical Data

IUPAC Name:	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]pyrrolidine
Description:	1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)pyrrolidine is an analogue of 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one (M330210), a reactant used in the preparation of kinase inhibitors.
Molecular Weight:	277.21
Molecular Formula:	C16H28BNO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)N3CCCC3
InChI:	InChI=1S/C16H28BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-5-6-12-18/h7,14H,5-6,8-12H2,1-4H3
InChI Key:	WHPQAACYAYSKKW-UHFFFAOYSA-N
Melting Point:	>82°C (dec.)
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Yellow to Light Brown Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere

Complexity:	383
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.2213093
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.2213093
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0