Published TCIMAIL newest issue No.200
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| Product Number | I0777 |
Purity / Analysis Method
|
>98.0%(T)(qNMR) |
| Molecular Formula / Molecular Weight | C__9H__1__1N__3O__4S = 257.26 |
| Physical State (20 deg.C) | Solid |
Storage Temperature
|
Frozen (<0°C) |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Moisture Sensitive,Heat Sensitive |
Packaging and Container
|
1G-Glass Bottle with Plastic Insert (View image) |
| CAS RN | 6655-27-2 |
| Reaxys Registry Number | 2659215 |
| PubChem Substance ID | 125307488 |
| MDL Number | MFCD09800525 |
| Appearance | White to Yellow to Orange powder to crystal |
| Purity(Neutralization titration) | min. 98.0 % |
| Purity(qNMR) | min. 98.0 % |
| NMR | confirm to structure |
| Melting Point | 136 °C |
| Pictogram |
|
| Signal Word | Warning |
| Hazard Statements | H315 : Causes skin irritation. H319 : Causes serious eye irritation. |
| Precautionary Statements | P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ eye protection/ face protection. P302 + P352 : IF ON SKIN: Wash with plenty of water. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P362 + P364 : Take off contaminated clothing and wash it before reuse. P332 + P313 : If skin irritation occurs: Get medical advice/ attention. |
| HS Number | 2935909099 |


Typical Procedure: Synthesis of (E)-3,7,11-trimethyldodeca-1,6,10-triene (Table 1, Entry 1)
Diethyl azodicarboxylate (74 μL, 0.47 mL) is added dropwise to a mixture of IPNBSH (1, 122 mg, 0.474 mmol), trans,trans-fanesol (0.100 mL, 0.393 mmol) and triphenylphosphine (124 mg, 0.473 mmol) in anhydrous THF (9.0 mL) at 0 °C under an argon atmosphere. After 5 min, the reaction mixture is allowed to warm to 23 °C. After 20 min, a mixture of trifluoroethanol and water (1:1, 4.5 mL) is added to the reaction mixture. After 3 h, the reaction mixture is suspended between diethyl ether (25 mL) and water (25 mL), and the aqueous layer is extracted with diethyl ether. The combined organic layers are dried over anhydrous sodium sulfate, filtered, and concentrated. The residue is purified by flash column chromatography on silica gel (eluent: pentane) to give the desired triene (71 mg, Y. 87 %).
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