(E)-2-Cyclopropylvinylboronic acid pinacol ester - CAS 849061-99-0
Catalog: |
BB037363 |
Product Name: |
(E)-2-Cyclopropylvinylboronic acid pinacol ester |
CAS: |
849061-99-0 |
Synonyms: |
2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | (E)-2-Cyclopropylvinylboronic acid pinacol ester (CAS# 849061-99-0) is a useful research chemical. |
Molecular Weight: | 194.08 |
Molecular Formula: | C11H19O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C=CC2CC2 |
InChI: | InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+ |
InChI Key: | FCWYPDPDAZGFRJ-BQYQJAHWSA-N |
Boiling Point: | 90-95 °C / 3-4 mmHg (lit.) |
Flash Point: | 199.9 °F |
Purity: | 96 % |
Density: | 0.937 g/mL at 25 °C (lit.) |
Appearance: | Liquid |
MDL: | MFCD07369776 |
LogP: | 2.58400 |
Refractive Index: | n20/D 1.466 (lit.) |
GHS Hazard Statement: | H227 (50%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
WO-2020186199-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 194.1478100 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.1478100 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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