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CAS 379229-84-2

:

Carbamic acid, (5-chloro-1,3-benzodioxol-4-yl)-, 1,1-dimethylethyl ester

Description:
Carbamic acid, (5-chloro-1,3-benzodioxol-4-yl)-, 1,1-dimethylethyl ester, identified by CAS number 379229-84-2, is an organic compound characterized by its carbamate functional group. This substance features a benzodioxole moiety, which contributes to its aromatic properties and potential biological activity. The presence of a chlorine atom at the 5-position of the benzodioxole ring may influence its reactivity and interaction with biological systems. The 1,1-dimethylethyl ester group enhances its lipophilicity, potentially affecting its solubility and permeability in biological membranes. As a carbamate, it may exhibit properties typical of this class, such as inhibition of certain enzymes or modulation of neurotransmitter activity. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, although specific biological activities and toxicological profiles would require further investigation. Overall, its unique structural features position it as a compound of interest in chemical research and development.
Formula:C12H14ClNO4
InChI:InChI=1S/C12H14ClNO4/c1-12(2,3)18-11(15)14-9-7(13)4-5-8-10(9)17-6-16-8/h4-5H,6H2,1-3H3,(H,14,15)
InChI key:InChIKey=VGAUUGYGFROFEI-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C2C(=CC=C1Cl)OCO2
Synonyms:
  • tert-Butyl N-(5-chloro-1,3-benzodioxol-4-yl)carbamate
  • tert-Butyl 5-chloro-1,3-benzodioxol-4-ylcarbamate
  • Carbamic acid, (5-chloro-1,3-benzodioxol-4-yl)-, 1,1-dimethylethyl ester
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