N-Boc-1-aminocyclobutanecarboxylic acid
Synonym(s):1-(Boc-amino)cyclobutanecarboxylic acid;Boc-cyclovaline
- CAS NO.：120728-10-1
- Empirical Formula: C10H17NO4
- Molecular Weight: 215.25
- MDL number: MFCD02682623
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:24:17
What is N-Boc-1-aminocyclobutanecarboxylic acid?
The Uses of N-Boc-1-aminocyclobutanecarboxylic acid
Boc-1-aminocyclobutane-1-carboxylic Acid is used in the synthesis of dipeptidyl nitriles with cathepsin-inhibiting activities. It is also used to prepare alkyl-oxo-aryl amides as novel antagonists of TRPA1 receptor.
Synthesis
Under stirring, add 1-aminocyclobutylcarboxylic acid (500mg, 4.34mmol) to 10mL of 0.5M sodium hydroxide solution, and add 10mL of 1,4-dioxane and di-tert-butyl dicarbonate (1.42g, 6.51 mmol), react for 15 hours. Extract with diethyl ether (20 mL × 2), add hydrochloric acid dropwise until the pH of the aqueous phase is 4, and extract with ethyl acetate (30 mL × 3). The organic phases were then combined, washed with saturated sodium chloride solution (20mL×2), dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to obtain the product N-Boc-1-aminocyclobutanecarboxylic acid (750mg, white solid), yield:80.6%.
Properties of N-Boc-1-aminocyclobutanecarboxylic acid
| Melting point: | 129-133 °C(lit.) |
| Boiling point: | 362.1±21.0 °C(Predicted) |
| Density | 1.18±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | Powder |
| pka | 4.14±0.20(Predicted) |
| color | White to light brown |
| BRN | 7994003 |
| InChI | InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13) |
| CAS DataBase Reference | 120728-10-1(CAS DataBase Reference) |
Safety information for N-Boc-1-aminocyclobutanecarboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for N-Boc-1-aminocyclobutanecarboxylic acid
| InChIKey | ROVVUKFHORPDSM-UHFFFAOYSA-N |
| SMILES | C1(NC(OC(C)(C)C)=O)(C(O)=O)CCC1 |
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