1-(Tert-butoxycarbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CAS No.:
1001754-59-1
M. Wt:
233.23700
M. Fa:
C10H16FNO4
InChI Key:
YVMHYDQOUZWQQA-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 1001754-59-1
CAS Number |
1001754-59-1 |
|---|---|
EC Number |
832-221-0 |
MDL Number |
MFCD08703174 |
IUPAC Name |
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
InChI |
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14) |
InChIKey |
YVMHYDQOUZWQQA-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1001754-59-1
Acidity coefficient |
2.38±0.20(Predicted) |
|---|---|
Boiling Point |
329.8±42.0°C at 760 mmHg |
Density |
1.25 |
Exact Mass |
233.10600 |
Flash Point |
153℃ |
LogP |
1.35800 |
Melting Point |
140-142 °C |
Molecular Formula |
C10H16FNO4 |
Molecular Weight |
233.23700 |
PSA |
66.84000 |
Storage condition |
2-8℃ |
Safety Information of 1001754-59-1
Applications of 1001754-59-1
1-(Tert-butoxycarbonyl)-3-fluoropyrrolidine-3-carboxylic acid finds applications in various fields:
- Pharmaceutical Development: It is used as an intermediate in the synthesis of pharmaceuticals, particularly those targeting neurological disorders due to its structural properties.
- Chemical Research: The compound serves as a building block in organic synthesis for developing new materials and compounds.
- Biotechnology: Potential applications in drug delivery systems due to its stability and reactivity.
Several compounds share structural similarities with 1-(tert-butoxycarbonyl)-3-fluoropyrrolidine-3-carboxylic acid. Here are a few notable examples:
| Compound Name | Molecular Formula | Key Features |
|---|---|---|
| 1-(Tert-butoxycarbonyl)-3-fluoropiperidine-3-carboxylic acid | C11H18FNO4 | Similar structure with piperidine ring |
| 1-(Boc)-4-fluoropiperidine-4-carboxylic acid | C11H18FNO4 | Contains a piperidine ring; different position of functional groups |
| 1-(Tert-butoxycarbonyl)-2-fluoropiperidine-2-carboxylic acid | C11H18FNO4 | Variation in fluorination position |
Physical sample testing spectrum (NMR) of 1001754-59-1
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