CAS 201218-08-8

1,1-Dimethylethyl N-[4-chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]carbamate

Description:

1,1-Dimethylethyl N-[4-chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]carbamate, commonly referred to by its CAS number 201218-08-8, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and multiple substituents that contribute to its biological activity. This compound features a chloro-substituted phenyl ring and a cyclopropyl group, which can influence its pharmacological properties. The presence of a trifluoromethyl group enhances lipophilicity, potentially affecting its interaction with biological membranes. The hydroxy group may play a role in hydrogen bonding, impacting solubility and reactivity. As a carbamate, it may exhibit insecticidal or herbicidal properties, making it of interest in agricultural chemistry. Its specific characteristics, such as melting point, solubility, and stability, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound's unique structure suggests potential applications in various fields, including agrochemicals and pharmaceuticals.

Formula: C₁₈H₁₉ClF₃NO₃

InChI: InChI=1S/C18H19ClF3NO3/c1-16(2,3)26-15(24)23-14-7-6-12(19)10-13(14)17(25,18(20,21)22)9-8-11-4-5-11/h6-7,10-11,25H,4-5H2,1-3H3,(H,23,24)

InChI key: InChIKey=GHCJVKSQWMFUFL-UHFFFAOYSA-N

SMILES: C(C#CC1CC1)(C(F)(F)F)(O)C2=C(NC(OC(C)(C)C)=O)C=CC(Cl)=C2

Synonyms:

• Carbamic acid, N-[4-chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[4-chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]carbamate
• Carbamic acid, [4-chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]-, 1,1-dimethylethyl ester

O-tert-Butyl-2-hydroxy Efavirenz-d5

Controlled Product

CAS: 201218-08-8

Applications O-tert-Butyl-2-hydroxy Efavirenz-d5 is an intermediate in the synthesis of Efavirenz-d5 (E425003), a labeled Efavirenz (E42500). A nonnucleoside HIV-1 reverse transcriptase inhibitor.
References Young, S.D., et al.: Antimicrob. Ag. Chemother., 39, 2602 (1995),

Formula: C₁₈D₅H₁₄ClF₃NO₃

Color and Shape: Neat

Molecular weight: 394.827

Ref: TR-B692472