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| CAS No.: | 17088-21-0 |
|---|---|
| Name: | 1-vinylpyrene |
| Article Data: | 15 |
| Molecular Structure: | |
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|
|
| Formula: | C18H12 |
| Molecular Weight: | 228.293 |
| Synonyms: | Pyrene,3-vinyl- (8CI); 1-Ethenylpyrene; 1-Vinylpyrene; 3-Vinylpyrene |
| Density: | 1.214g/cm3 |
| Melting Point: | 87-89 °C |
| Boiling Point: | 409.8°Cat760mmHg |
| Flash Point: | 193°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 0.00000 |
| LogP: | 5.22700 |
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- 61078-14-6
1-methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole
- 3029-19-4
pyrene-1-aldehyde
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0 - 20℃; for 0.166667h; Inert atmosphere; Stage #2: pyrene-1-aldehyde In tetrahydrofuran; hexane at 20℃; Inert atmosphere; | 82% |
| Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Wittig Olefination; Inert atmosphere; Stage #2: pyrene-1-aldehyde In tetrahydrofuran at 20℃; for 12h; Wittig Olefination; Inert atmosphere; | 70% |
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0 - 20℃; Stage #2: pyrene-1-aldehyde In tetrahydrofuran; hexane at 20℃; Wittig reaction; Further stages.; | 62% |
| With n-butyllithium In tetrahydrofuran; hexane for 12h; Ambient temperature; | 40% |
| Conditions | Yield |
|---|---|
| Stage #1: methyl-triphenylphosphonium iodide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; Stage #2: pyrene-1-aldehyde In tetrahydrofuran at 0 - 20℃; for 4h; Inert atmosphere; | 70% |
| Stage #1: methyl-triphenylphosphonium iodide With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Wittig reaction; Inert atmosphere; Stage #2: pyrene-1-aldehyde In tetrahydrofuran at 20℃; for 12h; Wittig reaction; Inert atmosphere; | 59% |
| With lithium diisopropyl amide 1) THF, -78 deg C to RT, 16h, 2) THF, RT, 6h; Yield given. Multistep reaction; |
- 18424-76-5
dimethyl malonate sodium salt
A
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 80℃; for 48h; | A n/a B 5% |
| With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 80℃; for 48h; |
- 65954-42-9
alpha-Methyl-1-pyrenemethanol
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; aluminum oxide at 340 - 360℃; under 6 Torr; |
- 139225-56-2
cis-1,2-Di(1-pyrenyl)cyclobutane
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| In acetonitrile at 23.9℃; Quantum yield; Mechanism; Irradiation; other solvent benzene, effect of added N,N-dimethyl-p-toluidine, 1,4-dicyanobenzene, benzophenone; |
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trans-1,2-Di(1-pyrenyl)cyclobutane
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| In acetonitrile at 23.9℃; Quantum yield; Mechanism; Irradiation; other solvent benzene, effect of added N,N-dimethyl-p-toluidine, 1,4-dicyanobenzene, benzophenone; |
| Conditions | Yield |
|---|---|
| With copper borate aluminium oxide at 520 - 580℃; under 10 - 20 Torr; |
| Conditions | Yield |
|---|---|
| at 340 - 360℃; under 6 Torr; |
- 3264-21-9
1-acetylpyrene
- 17088-21-0
1-vinylpyrene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: copper oxide-chromium oxide; methanol / 80 °C / 13239.1 Torr / Hydrogenation 2: dioxane; aluminium oxide / 340 - 360 °C / 6 Torr View Scheme |
- Total:26 Page 1 of 1 1
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Chemistry
Molecular Structure of 1-Ethenyl pyrene (CAS NO.17088-21-0):
IUPAC: 1-Vinylpyrene
Molecular Formula:C18H12
Molecular Weight:228.2879
Density:1.214 g/cm3
Flash Point:193oC
Boiling Point:409.8oC at 760 mmHg
SMILES:c4cc2ccc1ccc(\C=C)c3c1c2c(cc3)c4
InChI:InChI=1/C18H12/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h2-11H,1H2
InChIKey:WPMHMYHJGDAHKX-UHFFFAOYAE
Index of Refraction:1.842
Molar Volume:187.9 cm3
Surface Tension:56.2 dyne/cm
Molar Refractivity:83.38 cm3
Enthalpy of Vaporization:63.63 kJ/mol
Vapour Pressure:1.5E-06 mmHg at 25oC
Toxicity Data With Reference
| 1. | mma-sat 10 nmol/plate | CNREA8 Cancer Research. 40 (1980),642. | ||
| 2. | skn-mus TDLo:3651 µg/kg:ETA | CNREA8 Cancer Research. 40 (1980),642. |
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
1-Ethenyl pyrene with cas registry number of 17088-21-0 is also known as 1-Vinylpyrene ; 1-Ethenylpyrene ; 3-Vinylpyrene ; Pyrene,1-ethenyl-(9CI) ; Pyrene,3-vinyl- . 1-Ethenyl pyrene can be prepared in a single reaction stage by reacting the corresponding Acetylpyrene with a metal alkoxide in an inert organic solvent, e.g. Xylene, at a temperature above 110oC. which, for some reaction conditions, optimally is between 130oC and 150oC. The presence of hydroquinone in the mixture reduces the time and increases the yield of the reaction. 1-Ethenyl pyrene with cas registry number of 17088-21-0 is used as an intermediate in synthesis of Nizatidine .