4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester
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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
250.1740248 g/mol
Monoisotopic Mass
250.1740248 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
391
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
