4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane - CAS 448211-43-6

Name: 4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB076787
Product Name:	4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane
CAS:	448211-43-6
Synonyms:	4,4,5,5-Tetramethyl-2-(2-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(2-methylcyclohexen-1-yl)-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-(2-methylcyclohexen-1-yl)-1,3,2-dioxaborolane
Description:	4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane is used in the preparation of ┬а7-azaindole derivatives used in the inhibition of c-Jun N-terminal kinase.
Molecular Weight:	222.13
Molecular Formula:	C13H23BO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(CCCC2)C
InChI:	InChI=1S/C13H23BO2/c1-10-8-6-7-9-11(10)14-15-12(2,3)13(4,5)16-14/h6-9H2,1-5H3
InChI Key:	NZTDAXQXIPAWPC-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	Colorless to Light Yellow Oil
Storage:	4°C, Hygroscopic

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:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.1791101
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.1791101
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0