2,4-Diphenylpyrylium Tetrafluoroborate
Catalog: |
BB055918 |
Product Name: |
2,4-Diphenylpyrylium Tetrafluoroborate |
Synonyms: |
2,4-Diphenylpyrylium tetrafluoroborate; 2,4-diphenyl-pyranylium tetrafluoroborate |
IUPAC Name: | 2,4-diphenylpyryliumtetrafluoroborate |
Description: | 2,4-Diphenylpyrylium Tetrafluoroborate is derived from 4-Methoxy-3-buten-2-one (M261350), which is a reactant in the synthesis of hydroisoquinoline derivatives as an intermediate for the synthesis of manzamine. |
Molecular Weight: | 320.09 |
Molecular Formula: | C17H13BF4O |
Canonical SMILES: | [B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[O+]C=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H13O.BF4/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-152-1(3,4)5/h1-13H/q+1-1 |
InChI Key: | YRQMGBPYNJPPRR-UHFFFAOYSA-N |
Melting Point: | >180°C (dec.) |
Solubility: | Chloroform (Slightly), Methanol (Slightly), Heated) |
Appearance: | Dark Yellow to Very Dark Yellow Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
References: | Mihara, Y., et. al. Bull. Chem. Soc., 82, 1520 (2009). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.0995578 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.0995578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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