5807-14-7
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
CAS: 5807-14-7
Molecular Formula: C7H13N3
5807-14-7 - Names and Identifiers
5807-14-7 - Physico-chemical Properties
| Molecular Formula | C7H13N3 |
| Molar Mass | 139.2 |
| Density | 1.28±0.1 g/cm3(Predicted) |
| Melting Point | 125-130°C(lit.) |
| Boling Point | 222.3±23.0 °C(Predicted) |
| Solubility | toluene: soluble1 g/15 mL |
| Appearance | powder to crystal |
| Color | White to Almost white |
| BRN | 3242 |
| pKa | 14.47±0.20(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
5807-14-7 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 1759 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 9-21-34 |
| HS Code | 29335990 |
| Hazard Class | 8 |
| Packing Group | III |
5807-14-7 - Reference Information
| Application | 1 5 7-triazido Bicyclo (4.4.0) decane-5-ene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical and pharmaceutical synthesis process. 1,5, 7-triazabicyclo [4.4.0] dec-5-ene (commonly known as bicyclic guanidine; Abbreviation: TBD) is an organic strong base, it has a good catalytic effect on a variety of organic reactions and polymerization reactions. |
| preparation | 100.0g(0.762mol) BIS (3-aminopropyl) Amine was dissolved in mesitylene, A 1.0mol/L solution was prepared; 72.8g(0.762mol) of guanidine hydrochloride was dissolved in diethylene glycol to prepare a 1.0mol/L solution. The above bis (3-aminopropyl) amine mesitylene solution was added to a reaction kettle equipped with a reflux condenser and a stirring apparatus, followed by addition of 1.1mg of TBD. Under the protection of argon, the reaction temperature was maintained at 120 ° C., the above-mentioned guanidine hydrochloride diethylene glycol solution was added dropwise into the reaction kettle, and the addition was controlled to be completed within 3.0h, and the reaction was continued for h after the addition was completed. After completion of the reaction, the solvent was removed by rotary evaporation to obtain a white solid, I .e., TBD hydrochloride. After dissolving TBD hydrochloride with water, the aqueous solution was adjusted to pH 10 by adding sodium hydroxide, and extracted with dichloromethane. The obtained dichloromethane solution was TBD dichloromethane solution. After the white or yellowish solid obtained by removing the dichloromethane by rotary evaporation and vacuum drying for 48h, the product TBD is obtained, with a yield of 95.0% and a purity of 98.0%. |
Last Update：2024-04-10 22:29:15
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