CAS 89631-74-3

4-(boc-aminomethyl)phenyl isothiocyanate

Description:

4-(Boc-aminomethyl)phenyl isothiocyanate is a chemical compound characterized by the presence of an isothiocyanate functional group attached to a phenyl ring that is further substituted with a Boc (tert-butyloxycarbonyl) protected amine. This compound typically appears as a solid or liquid, depending on its purity and specific conditions. It is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis, especially in the preparation of thioureas and other derivatives. The Boc group serves as a protecting group for the amine, allowing for selective reactions without affecting the amine functionality. This compound is often utilized in medicinal chemistry and bioconjugation applications due to its ability to form stable linkages with nucleophiles, such as amines and thiols. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Proper storage conditions and protective equipment are recommended to ensure safe handling.

Formula: C₁₃H₁₆N₂O₂S

InChI: InChI=1/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-10-4-6-11(7-5-10)15-9-18/h4-7H,8H2,1-3H3,(H,14,16)

SMILES: CC(C)(C)OC(=NCc1ccc(cc1)N=C=S)O

Synonyms:

• Tert-Butyl (4-Isothiocyanatobenzyl)Carbamate