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ChemicalBook--->CAS DataBase List--->206989-61-9

206989-61-9

206989-61-9 Structure

206989-61-9 Structure
IdentificationBack Directory
[Name]

4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

206989-61-9
[Synonyms]

1-Boc-4-acetyL
Zanubrutinib Impurity 6
N-Boc-4-Acetypiperidine
N-Boc-4-acetylpiperidine
1-BOC-4-ACETYL-PIPERIDINE
1-N-Boc-4-Acetylpiperidine
1-BOC-ESTER4-ACETYL-PIPERIDINE
Zanubrutinib Related Compound 4
4-acetyl-1-(t-butoxycarbonyl)piperidine
1-tert-Butoxycarbonyl-4-acetylpiperidine
tert-Butyl 4-acetylpiperidine-1-carboxylate
tert-butyl 4-ethanoylpiperidine-1-carboxylate
4-acetyl-1-piperidinecarboxylic acid tert-butyl ester
4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-acetyl-piperidine-1-carboxylic acid Mono t-butyl ester
1-Piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H21NO3
[MDL Number]

MFCD08437655
[MOL File]

206989-61-9.mol
[Molecular Weight]

227.3
Questions And AnswerBack Directory
[Appearance]

Light yellow oil
Chemical PropertiesBack Directory
[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
[InChIKey]

HNVBBNZWMSTMAZ-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(C(C)=O)CC1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

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).
Spectrum DetailBack Directory
[Spectrum Detail]

4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(206989-61-9)1HNMR
4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(206989-61-9)FT-IR
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