CAS 872045-91-5

1,1-Dimethylethyl N-[2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamate, with CAS number 872045-91-5, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups such as carbamate and aromatic rings. This compound is notable for its potential applications in the field of agrochemicals, particularly as a pesticide or herbicide, due to its ability to interact with biological systems. The presence of a cyano group and a fluorinated phenoxy moiety suggests enhanced biological activity and stability. Additionally, the bicyclic structure contributes to its unique chemical properties, potentially influencing its solubility and reactivity. The compound's synthesis and characterization would typically involve advanced organic chemistry techniques, including spectroscopy and chromatography, to confirm its identity and purity. Safety and handling precautions are essential when working with such compounds, as they may exhibit toxicological effects or environmental persistence.

Formula: C₂₂H₃₁FN₄O₄

InChI: InChI=1S/C22H31FN4O4/c1-22(2,3)31-21(28)25-6-7-26-12-17-14-27(15-18(13-26)30-17)8-9-29-20-5-4-16(11-24)10-19(20)23/h4-5,10,17-18H,6-9,12-15H2,1-3H3,(H,25,28)

InChI key: InChIKey=BLLNYXOLLAVTRF-UHFFFAOYSA-N

SMILES: C(COC1=C(F)C=C(C#N)C=C1)N2CC3OC(CN(CCNC(OC(C)(C)C)=O)C3)C2

Synonyms:

• Carbamic acid, [2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]-, 1,1-dimethylethyl ester
• Carbamic acid, N-[2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamate
• [2-[7-[2-(4-Cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamic acid tert-butyl ester
• tert-Butyl [2-[7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamate

AZD-1305

CAS: 872045-91-5

AZD-1305

Purity: ≥98%

Molecular weight: 434.5g/mol

Ref: 54-BUP14533

AZD-1305

CAS: 872045-91-5

AZD-1305: novel anti-arrhythmic blocking IKr, Ca, Na currents; useful in arrhythmia research.

Formula: C₂₂H₃₁FN₄O₄

Purity: 99.31% - 99.86%

Color and Shape: Solid

Molecular weight: 434.5

Ref: TM-T30251