4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
- CAS NO.:206989-61-9
- Empirical Formula: C12H21NO3
- Molecular Weight: 227.3
- MDL number: MFCD08437655
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-08 16:13:53
What is 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester?
The Uses of 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-Acetylpiperidine-1-carboxylate is a useful research chemical.
Synthesis
Tert-butyl-4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate (2.29 g, 8.32 mmol) was dissolved in 30 ml of tetrahydrofuran (THF), and the resulting solution was cooled to -78 °C. To the solution, methylmagnesium bromide (3.0 M) (7.73 ml, 10.82 mmol) was slowly added, and the solution was stirred at 0 °C for 1 hr. After the reaction was completed with a 2 N hydrochloric acid aqueous solution, 6 N sodium hydroxide solution was added to adjust the pH to 10. Then the solution was extracted with dichloromethane. The organic layer was treated with magnesium sulfate (MgSO4) and filtered, and the solution was concentrated. The resulting residue was isolated and purified by silica gel column chromatography (dichloromethane/methanol = 10/1) to give 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester (6.36 g, 94.0 percent).
Properties of 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
Boiling point: | 312.4±35.0 °C(Predicted) |
Density | 1.052±0.06 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
pka | -2.23±0.40(Predicted) |
InChI | InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3 |
Safety information for 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
InChIKey | HNVBBNZWMSTMAZ-UHFFFAOYSA-N |
SMILES | N1(C(OC(C)(C)C)=O)CCC(C(C)=O)CC1 |
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ARRKEM LIFE SCIENCES PRIVATE LIMITED
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