3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester - CAS 859217-85-9

Name: 3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037773
Product Name:	3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester
CAS:	859217-85-9
Synonyms:	4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethyl-1-cyclohexenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohexen-1-yl)-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohexen-1-yl)-1,3,2-dioxaborolane
Description:	3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS# 859217-85-9) is a useful research chemical.
Molecular Weight:	264.21
Molecular Formula:	C16H29O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(CC(C2)(C)C)(C)C
InChI:	InChI=1S/C16H29BO2/c1-13(2)9-12(10-14(3,4)11-13)17-18-15(5,6)16(7,8)19-17/h9H,10-11H2,1-8H3
InChI Key:	XVMFBRCBEYKITB-UHFFFAOYSA-N
Boiling Point:	277.6 °C at 760 mmHg
Density:	0.93 g/cm³
MDL:	MFCD16659018
LogP:	4.39040

Publication Number	Title	Priority Date
EP-2109611-B1	7-azaindole derivatives and their use in the inhibition of c-jun n-terminal kinase	20070206
JP-2010517981-A	7-azaindole derivatives and their use in inhibiting c-Jun N-terminal kinase	20070206
JP-5335692-B2	7-azaindole derivatives and their use in inhibiting c-Jun N-terminal kinase	20070206
US-2010069354-A1	7-azaindole derivatives and their use in the inhibition of c-jun n-terminal kinase	20070206
US-8178552-B2	7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase	20070206

Complexity:	389
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.2260603
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.2260603
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0