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4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester

4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester

Inquiry

Molecular Formula:

C14H23BO3

Molecular Weight:

250.14

Product Information

Molecular Formula:

C14H23BO3

Molecular Weight:

250.14

Description

4,4-(Dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester is a paramount compound used in the realm of biomedicine .It assumes the dual role of being a versatile intermediate within the synthesis of diverse pharmaceutical drugs and agrochemicals, whilst playing a pivotal part in the advancement of therapeutics targeting ailments such as cancer, inflammation, and neurological disorders. Remarkably characterized by its distinct chemical composition, this product facilitates efficacious interactions with specific drug targets, solidifying its indispensable status in the domain of biomedical inquiry.

Synonyms

4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one; 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone; 4,4-(Dimethylcyclohex-2-enone)-2-boronic acid pinacol ester; 3,3-Dimethyl-6-oxocyclohex-1-ene-1-boronic acid, pinacol ester; 4,4-(Dimethyl cyclohex-2-en-1-one)-2-boronic acid pinacol ester; 4,4-(Dimethylcyclohex-2-enone)-2-boronic acid, pinacol ester; 4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester

IUPAC Name

4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(CCC2=O)(C)C

InChI

InChI=1S/C14H23BO3/c1-12(2)8-7-11(16)10(9-12)15-17-13(3,4)14(5,6)18-15/h9H,7-8H2,1-6H3

InChI Key

MMYLPQABFZSMCP-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

250.1740248 g/mol

Monoisotopic Mass

250.1740248 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

391

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
EP-3137438-B1	Methods to desensitize hydrazinium nitroformate (hnf)	2014-05-02
US-10227267-B2	Bonding agents for nitrogen-containing oxidizers	2014-05-02
US-2015315093-A1	Methods to desensitize hydrazinium nitroformate (hnf)	2014-05-02
US-2016046539-A1	Bonding agents for nitrogen-containing oxidizers	2014-05-02
US-9505666-B2	Methods to desensitize hydrazinium nitroformate (HNF)	2014-05-02
EP-3137440-B1	Bonding agents for nitrogen-containing oxidizers	2014-05-02
WO-2014157382-A1	Sphingosine kinase inhibitor	2013-03-29
AU-2011274322-A1	Naphth- 2 -ylacetic acid derivatives to treat AIDS	2010-07-02
AU-2011274322-B2	Naphth- 2 -ylacetic acid derivatives to treat AIDS	2010-07-02
CA-2802308-A1	Napht-2-ylacetic acid derivatives to treat aids	2010-07-02

Literatures

PMID	Publication Date	Title	Journal
11953808	2002-05-01	Microbial diversity and activity along the forefields of two receding glaciers	Microbial ecology

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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