BETA-2-NAPHTHONITRILE
2-naphthonitrile
CAS: 613-46-7
Molecular Formula: C11H7N
BETA-2-NAPHTHONITRILE - Names and Identifiers
| Name | 2-naphthonitrile |
| Synonyms | b-Naphthonitrile 2-naphthonitrile B-NAPHTHONITRILE 2-cyanonaphtalene 2-CYANONAPHTHALENE 2-Cyanonaphthylene BETA-NAPHTHONITRILE 2-Naphthalenenitrile BETA-2-NAPHTHONITRILE BETA-CYANONAPHTHALENE |
| CAS | 613-46-7 |
| EINECS | 210-344-5 |
| InChI | InChI=1/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H |
BETA-2-NAPHTHONITRILE - Physico-chemical Properties
| Molecular Formula | C11H7N |
| Molar Mass | 153.18 |
| Density | 1.0755 |
| Melting Point | 63-68 °C |
| Boling Point | 156-158°C 12mm |
| Flash Point | 156-158°C/12mm |
| Solubility | soluble in Benzene,Methanol |
| Vapor Presure | 0.000691mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Off-white to beige |
| BRN | 1363868 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6210 (estimate) |
| MDL | MFCD00016807 |
BETA-2-NAPHTHONITRILE - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R25 - Toxic if swallowed |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| RTECS | QL5976350 |
| TSCA | Yes |
| HS Code | 29269090 |
| Hazard Class | 6.1 |
| Packing Group | III |
BETA-2-NAPHTHONITRILE - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-naphthonitrile is an important synthetic intermediate for the synthesis of an excellent liquid crystal material with moderate dielectric anisotropy; at the same time, many natural products and clinical drugs contain cyano groups, such as antitumor drug Letrozole, β inhibitor Bucindolol, kinase inhibitor Neratinib, cardiovascular drug cromakalim, anti-HIV drug Etravirine, anti-gout drug Febuxostat, antidepressants Citalopram, diabetes drug alogliptin, etc. |
| application field | as an excellent reaction intermediate in organic chemistry, 2-naphthonitrile has been widely used in biology, pharmaceutical, pesticide, functional materials and other fields. |
| preparation | 2-naphthonitrile was prepared as follows: In a n2-filled glove box, niCl2 · 6H2O(5.9mg,0.025mmol),dppf(16.6mg,0.03mmol),Zn(6.5mg,0.1mmol) were sequentially added to the vial with the stopper, zn (CN)2(47.0mg,0.4mmol),DMAP(91.6mg,0.75mmol), 2-naphthyl mesylate (0.5mmol),CH3CN(5ml). After the lid was covered, the glove box was removed, and the reaction was directly heated in an oil bath at 50 ° C., and cooled to room temperature for 8H. After TLC detection, the gel was filtered, washed with ethyl acetate, concentrated and then subjected to column chromatography. Silica gel plate chromatography, eluent: petroleum ether/ethyl acetate = 35:1, the product is a white solid 2-naphthonitrile 71.6mg, yield 93%. 1H NMR purity was greater than 98%. |
Last Update：2024-04-09 02:00:10
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