Tert-butyl Chloroformate

CAS No.: 24608-52-4

M. Wt: 136.577

M. Fa: C₅H₉ClO₂

InChI Key: UJJDEOLXODWCGK-UHFFFAOYSA-N

Names and Identifiers of Tert-butyl Chloroformate

CAS Number	24608-52-4
IUPAC Name	tert-butyl carbonochloridate
InChI	InChI=1S/C5H9ClO2/c1-5(2,3)8-4(6)7/h1-3H3
InChIKey	UJJDEOLXODWCGK-UHFFFAOYSA-N
Canonical SMILES	CC(C)(C)OC(=O)Cl

Physical and chemical properties of Tert-butyl Chloroformate

Boiling Point	127.0±9.0 °C at 760 mmHg
Density	1.1±0.1 g/cm3
Exact Mass	136.029114
Flash Point	32.9±11.8 °C
Index of Refraction	1.419
LogP	2.14
Molecular Formula	C₅H₉ClO₂
Molecular Weight	136.577
PSA	26.30000
Vapour Pressure	11.4±0.2 mmHg at 25°C

Solubility of Tert-butyl Chloroformate

Routine testing items of Tert-butyl Chloroformate

PPB grade of Tert-butyl Chloroformate

Safety Information of Tert-butyl Chloroformate

Pictograms
Signal Word
Safety Data Sheet
	Supports customized editing of SDS information and downloading in PDF documents.

Key Milestone of Tert-butyl Chloroformate

Applications of Tert-butyl Chloroformate

Tert-butyl chloroformate finds diverse applications in organic synthesis:

Peptide Synthesis: It is widely used for introducing Boc protecting groups in amino acids and peptides.
Synthesis of Carbamates: Its ability to react with amines makes it useful for synthesizing various carbamate derivatives.
Preparation of Carbonate Esters: It serves as a precursor for carbonate esters through reactions with alcohols.

Interaction Studies of Tert-butyl Chloroformate

Research into interaction studies primarily focuses on the reactivity of tert-butyl chloroformate with various nucleophiles. The compound's interactions can be influenced by solvent effects, which impact nucleophilicity and electrophilicity during reactions. For instance, studies have shown that solvent polarity can significantly affect reaction rates and mechanisms involving tert-butyl chloroformate.

Similar Compounds: Comparison

Tert-butyl chloroformate shares similarities with other chloroformates but exhibits unique characteristics:

Compound Name	Chemical Formula	Unique Features
Methyl Chloroformate	C₃H₇ClO₂	Forms methyl esters; less sterically hindered than tert-butyl.
Ethyl Chloroformate	C₄H₉ClO₂	Forms ethyl esters; similar reactivity but larger size than methyl.
Isopropyl Chloroformate	C₄H₉ClO₂	Forms isopropyl esters; branched structure affects reactivity.
Perfluoro-tert-butyl Chloroformate	C₅H₃ClF₅O₂	Fluorinated variant; exhibits different reactivity patterns due to electronegativity of fluorine.