CAS 84000-72-6

1,3-Dimethylbutyl carbonochloridate

Description:

1,3-Dimethylbutyl carbonochloridate, with the CAS number 84000-72-6, is an organic compound that belongs to the class of carbonochloridates, which are esters derived from carbonic acid and chlorinated alcohols. This compound features a carbonochloridate functional group, which is characterized by the presence of a carbonyl group (C=O) adjacent to a chlorine atom. It is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. The presence of the dimethyl groups on the butyl chain contributes to its steric hindrance, influencing its reactivity and interactions with other chemical species. 1,3-Dimethylbutyl carbonochloridate is primarily used in organic synthesis, particularly in the preparation of various chemical intermediates and in the production of pharmaceuticals. Due to its reactive nature, it should be handled with care, as it can be corrosive and may pose health hazards upon exposure. Proper safety measures, including the use of personal protective equipment, are essential when working with this compound.

Formula: C₇H₁₃ClO₂

InChI: InChI=1S/C7H13ClO2/c1-5(2)4-6(3)10-7(8)9/h5-6H,4H2,1-3H3

InChI key: InChIKey=DFDVWGPSPQCTBJ-UHFFFAOYSA-N

SMILES: C(C(OC(Cl)=O)C)C(C)C

Synonyms:

• 1,3-Dimethylbutyl Chlorocarbonate
• 1,3-Dimethylbutyl carbonochloridate
• Carbonochloridic acid, 1,3-dimethylbutyl ester
• 1,3-Dimethylbutyl chloroformate

4-Methylpentan-2-yl chloroformate

CAS: 84000-72-6

4-Methylpentan-2-yl chloroformate is an oxytocin antagonist and vasopressin agonist. It binds to oxytocin receptors, blocking the actions of this hormone. 4-Methylpentan-2-yl chloroformate has been used in a number of formulae.

Formula: C₇H₁₃ClO₂

Purity: Min. 95%

Molecular weight: 164.63 g/mol

Ref: 3D-JDA00072