2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 212127-80-5
Catalog: |
BB067665 |
Product Name: |
2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
CAS: |
212127-80-5 |
Synonyms: |
2-(2,5-Dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-(2,5-Dihydro-3-furanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is derived from 3-Oxotetrahydrofuran (O870480), which is a reagent in the preparation of dihydropteridinone which are orally active Polo-like kinase-2 (Plk-2) inhibitors. |
Molecular Weight: | 196.05 |
Molecular Formula: | C10H17BO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCOC2 |
InChI: | InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5H,6-7H2,1-4H3 |
InChI Key: | FCRCZWHPQMJOSH-UHFFFAOYSA-N |
References: | Bowers, S., et al. Bioorg. Med. Chem. Lett., 23, 2743 (2013); Kovari, E., et al. Brain Res. Bull., 80, 203 (2009). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.1270746 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.1270746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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