Methylboronic Acid Pinacol Ester - CAS 94242-85-0

Catalog:	BB041246
Product Name:	Methylboronic Acid Pinacol Ester
CAS:	94242-85-0
Synonyms:	2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane; 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
Description:	Methylboronic Acid Pinacol Ester (CAS# 94242-85-0) is a coupling reagent used in the stereoselective synthesis of spirocyclic ketones.
Molecular Weight:	142.00
Molecular Formula:	C7H15O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C
InChI:	InChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3
InChI Key:	FOQJHZPURACERJ-UHFFFAOYSA-N
LogP:	1.70840

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.1165099
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.1165099
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0