| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
- 2-Ethoxybenzonitrile
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- $1.00
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2020-01-08
- CAS:6609-57-0
- Min. Order: 1KG
- Purity: 98%HPLC
- Supply Ability: 10 tons/month
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| | 2-Ethoxybenzonitrile Basic information |
| | 2-Ethoxybenzonitrile Chemical Properties |
| Melting point | 5°C(lit.) | | Boiling point | 154°C 20mm | | density | 1.053 g/mL at 25 °C (lit.) | | vapor pressure | 0.49-54000Pa at 20-238℃ | | refractive index | n20/D 1.5322(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | form | Liquid | | color | Clear colorless to pale yellow | | InChI | 1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3 | | InChIKey | DXTLCLWOCYLDHL-UHFFFAOYSA-N | | SMILES | CCOc1ccccc1C#N | | LogP | 2.6 at 25℃ and pH6.6 | | Surface tension | 54.5mN/m at 511.2mg/L and 20.1℃ | | CAS DataBase Reference | 6609-57-0(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39 | | RIDADR | UN3276 | | WGK Germany | 2 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269095 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Ethoxybenzonitrile Usage And Synthesis |
| Uses | 2-Ethoxybenzonitrile has been used in the synthesis of selective phosphodiesterase(V) inhibitor, vardenafil. | | Synthesis | To a 250 mL three-necked flask was added 5.95 g (0.05 mol) of o-hydroxybenzonitrile, 20 mL of 10% aqueous NaOH and 80 mL of toluene and the mixture was heated to 70 °C and maintained at this temperature for 1 hour of reaction. Subsequently, the temperature was lowered to 60 °C and 9.24 g of diethyl sulfate was slowly added dropwise. After the dropwise addition, the reaction temperature was raised to 70 °C and the reaction was continued for 2 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) until o-hydroxybenzonitrile completely disappeared. After completion of the reaction, the mixture was cooled to room temperature and liquid-liquid separation was carried out. The toluene layer was collected and the solvent was removed by evaporation to give a light yellow oily liquid 2-ethoxybenzonitrile 6.98 g in 95% yield. | | References | [1] Patent: CN108440519, 2018, A. Location in patent: Paragraph 0021; 0022; 0023; 0024
[2] Patent: CN108341808, 2018, A. Location in patent: Paragraph 0021; 0022; 0023 |
| | 2-Ethoxybenzonitrile Preparation Products And Raw materials |
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