HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tert-butyl Chloroformate
Tert-butyl carbonochloridate · tert-Butyl chloroforMate · tert-Butyl cyanoformate · Azacitidine Impurity 54 · ert-butylcarbonochloridate · tert-butoxycarbonyl chloride · Tert-butyl chloromethyl formate · Carbonochloridic acid, 1,1-diMethylethyl ester
Identifiers & Physical Properties
| CAS No. | 24608-52-4 |
|---|---|
| Molecular formula | C5H9ClO2 |
| Average molar mass | 136.58 g/mol |
| Monoisotopic mass | 136.02910721 g/mol |
| SMILES | CC(C)(C)OC(=O)Cl |
| InChIKey | UJJDEOLXODWCGK-UHFFFAOYSA-N |
| PubChem CID | 9920397 |
| DTXSID | DTXSID90432775 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 93.1 |
| Melting point | 10 °C (decomp) |
| Boiling point | 3-4 °C(Press: 0.9-1.7 Torr) |
| Density | 1.084±0.06 g/cm3(Predicted) |
| Solubility | sol ether, toluene, and most organic aprotic solvents |
Applications & Uses
Uses
T-Butyl Chloroformate is used as a reagent for the protection of amino groups, including amino acids.
Preparation & Synthesis
Preparation
T-Butyl Chloroformate should be prepared from t-butanol or potassium t-butoxide and phosgene shortly before use.