Pinacol (dichloromethyl) boronate

Inquiry

Molecular Formula:

C7H13BCl2O2

Molecular Weight:

210.89

CAS Number:

83622-41-7

Catalog Number:

83622-41-7

Product Information

Molecular Formula:

C7H13BCl2O2

Molecular Weight:

210.89

Description

Pinacol (dichloromethyl) boronate is a general reagent that was employed by Prof. Greg C. Fu and coworkers to achieve the iterative synthesis of asymmetric (secondary) alkyl boronate esters. These can be further derivatized through a growing suite of chemical transformations developed in the last decade (cross coupling, oxidation, amination, halogenation) that proceed with stereochemical fidelity.

Synonyms

1,3,2-Dioxaborolane, 2-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,Dichloromethyl pinacol boronate

IUPAC Name

2-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C(Cl)Cl

InChI

InChI=1S/C7H13BCl2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3

InChI Key

GQFQFYFLABSDDS-UHFFFAOYSA-N

Flash Point

201.2 °F

Purity

≥95%

Density

1.1423

Refractive Index

n/D 1.4511

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.0385652 g/mol

Monoisotopic Mass

210.0385652 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

166

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2021253565-A1	Monoacylglycerol lipase modulators	2020-02-10
WO-2021160602-A1	Monoacylglycerol lipase modulators	2020-02-10
WO-2014183221-A1	Resveratrol analogs and therapeutic uses thereof	2013-05-17
EP-2763533-A1	Triazolyl pde10 inhibitors	2011-10-06
US-2014249134-A1	Triazolyl pde10 inhibitors	2011-10-06
US-9200001-B2	Triazolyl PDE10 inhibitors	2011-10-06
WO-2013052526-A1	Triazolyl pde10 inhibitors	2011-10-06
EP-2763533-B1	Triazolyl pde10 inhibitors	2011-10-06
US-2013072555-A1	Compositions and methods for treating metabolic diseases	2010-01-20
US-8889660-B2	Methods for treating obesity or an obesity related condition	2010-01-20

Literatures

PMID	Publication Date	Title	Journal
4973	1976-04-01	Hyperactive children and the efficacy of psychoactive drugs as a treatment intervention	The American journal of orthopsychiatry

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The dilution calculator equation

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