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
Canonical 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
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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