Butylboronic Acid - CAS 4426-47-5
Catalog: |
BB025555 |
Product Name: |
Butylboronic Acid |
CAS: |
4426-47-5 |
Synonyms: |
butylboronic acid; butylboronic acid |
IUPAC Name: | butylboronic acid |
Description: | A precursor to unsymmetric borinic acids, inhibitors of serine proteases. Reagent used to prepare chiral oxazaborolidines. |
Molecular Weight: | 101.94 |
Molecular Formula: | C4H11O2B |
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 |
MDL: | MFCD00002106 |
LogP: | 0.25930 |
Vapor Pressure: | 0.000548 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-113493432-A | Synthetic method and application of vomitoxin hapten and artificial antigen | 20210624 |
CN-113201804-A | Fiber and preparation method thereof | 20210521 |
CN-113249816-A | Transparent fiber and preparation method thereof | 20210521 |
CN-113214137-A | Aryl ketone peptide deformylase inhibitor and application thereof in antibacterial and antitumor aspects | 20210519 |
CN-112946157-A | Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection | 20210208 |
PMID | Publication Date | Title | Journal |
20014894 | 20101001 | 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 | 20091115 | Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity | Bioorganic & medicinal chemistry letters |
18376948 | 20080328 | Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods | The Journal of chemical physics |
17333244 | 20070701 | Carbohydrate supplementation during prolonged cycling exercise spares muscle glycogen but does not affect intramyocellular lipid use | Pflugers Archiv : European journal of physiology |
17059182 | 20060801 | Boric acid and boronic acids inhibition of pigeonpea urease | Journal of enzyme inhibition and medicinal chemistry |
Complexity: | 38.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.0852098 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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