tert-Butyl carbamate
Synonym(s):Boc-amide
- CAS NO.：4248-19-5
- Empirical Formula: C5H11NO2
- Molecular Weight: 117.15
- MDL number: MFCD00007962
- EINECS: 224-209-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-05 19:05:58
What is tert-Butyl carbamate?
Chemical properties
White to slightly yellow needles
The Uses of tert-Butyl carbamate
tert-Butyl carbamate was used in palladium-catalyzed synthesis of N-Boc-protected anilines. It was used in the synthesis of tetrasubstituted pyrroles, functionalized with ester or ketone groups at C-3 position.
Synthesis Reference(s)
The Journal of Organic Chemistry, 28, p. 3421, 1963 DOI: 10.1021/jo01047a033
General Description
Palladium-catalyzed cross-coupling reaction of tert-butyl carbamate with various aryl(Het) halides with Cs2CO3 as base in 1,4-dioxane (solvent) has been investigated.
Properties of tert-Butyl carbamate
| Melting point: | 105-108 °C (lit.) |
| Boiling point: | 218.95°C (rough estimate) |
| Density | 1.1274 (rough estimate) |
| refractive index | 1.4206 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Needles |
| pka | 13.59±0.50(Predicted) |
| color | White to slightly yellow |
| Water Solubility | Soluble in methylene chloride, chloroform, and alcohols. Slightly soluble in petroleum ether and water. |
| BRN | 1744500 |
| CAS DataBase Reference | 4248-19-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Tert-butyl carbamate(4248-19-5) |
Safety information for tert-Butyl carbamate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for tert-Butyl carbamate
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