CAS 1803580-71-3

1,1-Dimethylethyl N-[3-(2-chloro-6-methylphenyl)-2-propyn-1-yl]carbamate

Description:

1,1-Dimethylethyl N-[3-(2-chloro-6-methylphenyl)-2-propyn-1-yl]carbamate, identified by its CAS number 1803580-71-3, is a chemical compound that belongs to the class of carbamates. This substance typically exhibits characteristics such as being a solid or liquid at room temperature, depending on its specific formulation and purity. It is likely to be soluble in organic solvents while having limited solubility in water, which is common for many carbamate derivatives. The presence of a chloro-substituted aromatic ring and a propynyl group suggests potential applications in agrochemicals or pharmaceuticals, particularly as a pesticide or herbicide. The compound's structure indicates it may interact with biological systems, potentially affecting enzyme activity or other biochemical pathways. Safety data would be essential for handling, as with many synthetic organic compounds, to assess toxicity, environmental impact, and regulatory compliance. Overall, this compound's unique structure and functional groups contribute to its potential utility in various chemical applications.

Formula: C₁₅H₁₈ClNO₂

InChI: InChI=1S/C15H18ClNO2/c1-11-7-5-9-13(16)12(11)8-6-10-17-14(18)19-15(2,3)4/h5,7,9H,10H2,1-4H3,(H,17,18)

InChI key: InChIKey=JFMAUENCKZLCFV-UHFFFAOYSA-N

SMILES: C(#CCNC(OC(C)(C)C)=O)C1=C(C)C=CC=C1Cl

Synonyms:

• tert-Butyl N-[3-(2-chloro-6-methylphenyl)prop-2-yn-1-yl]carbamate
• 1,1-Dimethylethyl N-[3-(2-chloro-6-methylphenyl)-2-propyn-1-yl]carbamate
• Carbamic acid, N-[3-(2-chloro-6-methylphenyl)-2-propyn-1-yl]-, 1,1-dimethylethyl ester

tert-Butyl N-[3-(2-chloro-6-methylphenyl)prop-2-yn-1-yl]carbamate

CAS: 1803580-71-3

Versatile small molecule scaffold

Formula: C₁₅H₁₈ClNO₂

Purity: Min. 95%

Molecular weight: 279.76 g/mol

Ref: 3D-DXC58071