1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine
CAS No.:
99735-30-5
M. Wt:
276.374
M. Fa:
C16H24N2O2
InChI Key:
PHOIDJGLYWEUEK-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 99735-30-5
CAS Number |
99735-30-5 |
|---|---|
EC Number |
677-983-3 |
MDL Number |
MFCD00059039 |
IUPAC Name |
tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate |
InChI |
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19) |
InChIKey |
PHOIDJGLYWEUEK-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 99735-30-5
Boiling Point |
385.1±31.0 °C at 760 mmHg |
|---|---|
Density |
1.1±0.1 g/cm3 |
Exact Mass |
276.183777 |
Flash Point |
186.7±24.8 °C |
Index of Refraction |
1.546 |
LogP |
2.81 |
Melting Point |
113ºC |
Molecular Formula |
C16H24N2O2 |
Molecular Weight |
276.374 |
PSA |
41.57000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 99735-30-5
Applications of 99735-30-5
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate has potential applications across various fields:
- Pharmaceutical Development: Due to its biological activities, it may serve as a lead compound for developing new medications targeting pain relief or CNS disorders.
- Chemical Research: It serves as an intermediate in organic synthesis, particularly for creating more complex nitrogen-containing compounds.
- Agricultural Chemistry: Similar carbamates are often explored for use as pesticides or herbicides due to their biological activity against pests.
Interaction Studies of 99735-30-5
Interaction studies involving tert-butyl (1-benzylpyrrolidin-3-yl)carbamate primarily focus on its binding affinity with various biological targets. Preliminary assessments suggest that it may interact with neurotransmitter receptors and enzymes relevant to pain modulation and mood regulation. These interactions warrant further investigation through pharmacological studies to elucidate its mechanism of action and potential side effects.
Physical sample testing spectrum (NMR) of 99735-30-5
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