CAS 1803601-86-6

1,1-Dimethylethyl N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate

Description:

1,1-Dimethylethyl N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate, identified by its CAS number 1803601-86-6, is a chemical compound that features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. This compound contains a 1,2,4-oxadiazole ring, which is a five-membered heterocyclic structure known for its potential biological activity and stability. The chloromethyl group attached to the oxadiazole enhances its reactivity, making it a candidate for various chemical reactions. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, which can influence its solubility and interaction with biological targets. Overall, this compound may exhibit properties relevant to agricultural chemistry, particularly as a pesticide or herbicide, due to its structural features that can interact with biological systems. However, specific safety and handling guidelines should be followed due to the presence of chlorine and potential toxicity associated with carbamate derivatives.

Formula: C₉H₁₄ClN₃O₃

InChI: InChI=1S/C9H14ClN3O3/c1-9(2,3)15-8(14)11-5-7-12-6(4-10)13-16-7/h4-5H2,1-3H3,(H,11,14)

InChI key: InChIKey=DYBYYSCJKNRUCY-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C1=NC(CCl)=NO1

Synonyms:

• 1,1-Dimethylethyl N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
• Carbamic acid, N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]-, 1,1-dimethylethyl ester
• tert-Butyl N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate

tert-Butyl N-{[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamate

CAS: 1803601-86-6

Versatile small molecule scaffold

Formula: C₉H₁₄ClN₃O₃

Purity: Min. 95%

Molecular weight: 247.68 g/mol

Ref: 3D-DXC60186