CAS 220897-76-7

Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]hydroxy-, methyl ester

Description:

Carbamic acid, with the specific name "2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]hydroxy-, methyl ester" and CAS number 220897-76-7, is a chemical compound characterized by its complex structure that includes a carbamate functional group. This compound features a pyrazole ring, which is a five-membered ring containing two nitrogen atoms, and is substituted with a 4-chlorophenyl group, enhancing its potential biological activity. The presence of a methyl ester indicates that it has an ester functional group, which can influence its solubility and reactivity. The hydroxyl group in the structure contributes to its polarity and may play a role in hydrogen bonding interactions. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall stability of the compound in different environments. As with many chemical substances, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₈H₁₆ClN₃O₄

InChI: InChI=1S/C18H16ClN3O4/c1-25-18(23)22(24)16-5-3-2-4-13(16)12-26-17-10-11-21(20-17)15-8-6-14(19)7-9-15/h2-11,24H,12H2,1H3

InChI key: InChIKey=GYSCXYJNCCOQOU-UHFFFAOYSA-N

SMILES: O(CC1=C(N(C(OC)=O)O)C=CC=C1)C2=NN(C=C2)C3=CC=C(Cl)C=C3

Synonyms:

• Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]hydroxy-, methyl ester

O-Demethyl Pyraclostrobin-d3

Controlled Product

CAS: 220897-76-7

Applications O-Demethyl Pyraclostrobin-d3 is an intermediate used in the synthesis of Pyraclostrobin-d6 (P840402), which is an isotope labelled Pyraclostrobin is a fungicide for use in seed grass and food crops.
References Gyldenkaerne, S., et al.: Pestic Sci., 55, 1210 (1999), Pennington, D., et al.: Environ. Sci. Technol., 39, 1119 (2005), Wang, S., et al.: Food Control., 18, 731 (2007),

Formula: C₁₈D₃H₁₃ClN₃O₄

Color and Shape: Neat

Molecular weight: 376.809

Ref: TR-D231842