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
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113698845-A | Wear-resistant stainless steel welded pipe and preparation process thereof | 2021-09-06 |
| CN-113638219-A | Preparation method of low-temperature-resistant fluorescent whitening slurry | 2021-08-20 |
| CN-113493432-A | Synthetic method and application of vomitoxin hapten and artificial antigen | 2021-06-24 |
| 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 |
