1-cyclohexen-1-yl-boronic acid
Product Information
Molecular Formula
C6H11BO2
Molecular Weight
125.96
Description
1-cyclohexen-1-yl-boronic acid is an invaluable constituent in the realm of medicinal chemistry and manifests as a pivotal chemical in the construction of pharmaceutical molecules. Extensively employed within the biopharmaceutical sector, this compound engenders novel therapeutic interventions to combat diverse afflictions such as malignant tumors and inflammatory maladies.
Synonyms
1-cyclohexenylboronic Acid; cyclohex-1-en-1-ylboronic acid; cyclohexen-1-ylboronic acid; 1-CYCLOHEXEN-1-YL-BORONIC ACID; cyclohexenylboronic acid; 1-Cyclohexen-1-ylboronic acid; Cyclohexen-1-yl-Boronic Acid; cyclohexen-1-yl boronic acid; 1-cyclohexeneboronic acid; CYCLOHEXENE-1-BORONIC ACID; CYCLOHEX-1-ENYLBORONIC ACID; (CYCLOHEX-1-EN-1-YL)BORONIC ACID; Boronic acid, 1-cyclohexen-1-yl-
IUPAC Name
cyclohexen-1-ylboronic acid
SMILES
B(C1=CCCCC1)(O)O
InChI
InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChI Key
XZWQKJXJNKYMAP-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
126.0852098 g/mol
Monoisotopic Mass
126.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
120
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 |
|---|---|---|
| WO-2022041171-A1 | Long-acting and low-addiction compound and preparation method therefor | 2020-08-31 |
| WO-2022047347-A1 | Protein secretion inhibitors | 2020-08-31 |
| WO-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| CN-111960998-A | Nitroxoline derivatives, preparation method and application thereof | 2020-08-03 |
| WO-2022028321-A1 | Nitroxoline derivative, preparation method therefor, and use thereof | 2020-08-03 |
| CN-113968855-A | Compound for treating thrombotic diseases | 2020-07-24 |
| WO-2022017531-A1 | Compound for treating thrombotic diseases | 2020-07-24 |
| JP-2022021687-A | Method for Producing N-Substituted (Meta) Acrylamide | 2020-07-22 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| WO-2021243273-A1 | Bacterial efflux pump inhibitors | 2020-05-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 14673853 | 2003-12-05 | (9Z)- and (11Z)-8-methylretinals for artificial visual pigment studies: stereoselective synthesis, structure, and binding models | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 11735529 | 2001-12-14 | The Suzuki coupling reaction in the stereocontrolled synthesis of 9-cis-retinoic acid and its ring-demethylated analogues | The Journal of organic chemistry |
