Butylboronic Acid

Product Information

Molecular Formula:
C4H11O2B
Molecular Weight:
101.94
Description
A precursor to unsymmetric borinic acids, inhibitors of serine proteases. Reagent used to prepare chiral oxazaborolidines.
Synonyms
butylboronic acid; butylboronic acid
IUPAC Name
butylboronic acid
Canonical SMILES
B(CCCC)(O)O
InChI
InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChI Key
QPKFVRWIISEVCW-UHFFFAOYSA-N
Boiling Point
189.2 °C at 760 mmHg
Melting Point
90-92 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
0.914 g/cm3
Appearance
White hygroscopic solid
LogP
0.25930
Vapor Pressure
0.000548 [mmHg]

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
102.0852098 g/mol
Monoisotopic Mass
102.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
38.7
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

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CN-113201804-A Fiber and preparation method thereof 2021-05-21
CN-113249816-A Transparent fiber and preparation method thereof 2021-05-21
CN-113214137-A Aryl ketone peptide deformylase inhibitor and application thereof in antibacterial and antitumor aspects 2021-05-19
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 2021-02-08
CN-113387948-A Fused ring heteroaryl derivative, pharmaceutical composition, treatment method and application thereof 2021-02-06
WO-2022029438-A1 Alpha,beta unsaturated methacrylic esters with anti-inflammatory properties 2020-08-05
JP-2022021687-A Method for Producing N-Substituted (Meta) Acrylamide 2020-07-22

Literatures

PMID Publication Date Title Journal
20014894 2010-10-01 Inhibition studies of soybean (Glycine max) urease with heavy metals, sodium salts of mineral acids, boric acid, and boronic acids Journal of enzyme inhibition and medicinal chemistry
19822427 2009-11-15 Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity Bioorganic & medicinal chemistry letters
18376948 2008-03-28 Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods The Journal of chemical physics
17333244 2007-07-01 Carbohydrate supplementation during prolonged cycling exercise spares muscle glycogen but does not affect intramyocellular lipid use Pflugers Archiv : European journal of physiology
17059182 2006-08-01 Boric acid and boronic acids inhibition of pigeonpea urease Journal of enzyme inhibition and medicinal chemistry
15732944 2005-03-07 Both nucleophile and substrate bind to the catalytic Fe(II)-center in the type-II methionyl aminopeptidase from Pyrococcus furiosus Inorganic chemistry
11482728 2001-07-05 Sensitive and simple determination of mannitol in human brain tissues by gas chromatography-mass spectrometry Journal of chromatography. B, Biomedical sciences and applications
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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