1-ADAMANTYL ISOTHIOCYANATE
- CAS NO.：4411-26-1
- Empirical Formula: C11H15NS
- Molecular Weight: 193.31
- MDL number: MFCD00074736
- EINECS: 224-564-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-04 15:07:35
What is 1-ADAMANTYL ISOTHIOCYANATE?
Chemical properties
white crystalline powder
The Uses of 1-ADAMANTYL ISOTHIOCYANATE
1-Adamantyl isothiocyanate was used in the synthesis of:
- tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand
- 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea 2,3-dihydroxysuccinates
General Description
1-Adamantyl isothiocyanate undergoes nucleophilic addition reaction with pyrrolidine, piperidine, 3-hydroxypiperidine and 4-hydroxypiperidine to yield N′,N′-disubstituted N-(1-adamantyl)-thiourea derivatives.
Purification Methods
Dissolve it in Et2O, wash with H2O, dry (Na2SO4), evaporate and sublime the residue in a vacuum at 140o, then recrystallise it from MeOH. Irritant. [Stetter & Wulff Chem Ber 95 2302 1962.]
Properties of 1-ADAMANTYL ISOTHIOCYANATE
| Melting point: | 166-168 °C (lit.) |
| Density | 1.35 |
| refractive index | 1.5500 (estimate) |
| form | powder to crystal |
| color | White to Orange to Green |
| CAS DataBase Reference | 4411-26-1(CAS DataBase Reference) |
Safety information for 1-ADAMANTYL ISOTHIOCYANATE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-ADAMANTYL ISOTHIOCYANATE
| InChIKey | YPKFLUARLJRPQM-UHFFFAOYSA-N |
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