1-Boc-4-methylpiperidine-4-carboxylic acid
- CAS NO.：189321-63-9
- Empirical Formula: C12H21NO4
- Molecular Weight: 243.3
- MDL number: MFCD02179132
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-24 18:12:17
What is 1-Boc-4-methylpiperidine-4-carboxylic acid?
Chemical properties
White to Light yellow powder to crystal
Synthesis
A mixture of Ethyl N-Boc-4-methylpiperidine-4-carboxylate (4.1 g, 15.1mmol) and lithium hydroxide (2.17g, 90.6mmol) in methanol (3OmL)ZH2O (2OmL) was stirred at a temperature of about 25 ℃ for 16h. After evaporation to dryness, the residue was partitioned between DCM and brine. The organic layer was separated, dried (MgSO4), filtered, and concentrated under reduced pressure to provide 3.38g of 1-Boc-4-methylpiperidine-4-carboxylic acid as a white solid (yield 92.0 percent).
Properties of 1-Boc-4-methylpiperidine-4-carboxylic acid
| Boiling point: | 354.3±35.0 °C(Predicted) |
| Density | 1.129±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 4.69±0.20(Predicted) |
| InChI | InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15/h5-8H2,1-4H3,(H,14,15) |
| CAS DataBase Reference | 189321-63-9(CAS DataBase Reference) |
Safety information for 1-Boc-4-methylpiperidine-4-carboxylic 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 H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Boc-4-methylpiperidine-4-carboxylic acid
| InChIKey | OKBNEDPOUYRYNP-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC(C)(C(O)=O)CC1 |
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