5-Methylfuran-2-boronic Acid Pinacol Ester - CAS 338998-93-9
Catalog: |
BB021889 |
Product Name: |
5-Methylfuran-2-boronic Acid Pinacol Ester |
CAS: |
338998-93-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-(5-methyl-2-furanyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane |
Description: | 5-Methylfuran-2-boronic Acid Pinacol Ester (CAS# 338998-93-9) is used as a reagent for the borylation of furans, pyrroles and other organic reactions. |
Molecular Weight: | 208.06 |
Molecular Formula: | C11H17O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C |
InChI: | InChI=1S/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3 |
InChI Key: | FNPZFZKLYGWKLH-UHFFFAOYSA-N |
Boiling Point: | 277.8 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.023 g/mL at 25 °C |
Storage: | 2-8 °C |
MDL: | MFCD03094689 |
LogP: | 1.88720 |
Refractive Index: | n20/D 1.476 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2021203261-B1 | Novel dioxoloisoquinolinone derivatives and use thereof | 20200813 |
US-2021292332-A1 | Heterocyclic Adenosine Receptor Antagonists | 20200316 |
CN-111875582-A | Quinoline hydroxamic acid derivative and preparation method and application thereof | 20191012 |
CN-111875582-B | Quinoline hydroxamic acid derivative and preparation method and application thereof | 20191012 |
US-2021008057-A1 | Substituted heterocycles as antiviral agents | 20190711 |
PMID | Publication Date | Title | Journal |
21088783 | 20110107 | Empty level structure of boryl-substituted pentacyclic heteroaromatics | Physical chemistry chemical physics : PCCP |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.1270746 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.1270746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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