ChemicalBook--->CAS DataBase List--->130250-54-3

130250-54-3

130250-54-3 Structure

130250-54-3 Structure
IdentificationMore
[Name]

Ethyl 1-Boc-3-piperidinecarboxylate
[CAS]

130250-54-3
[Synonyms]

1-(TERT-BUTOXYCARBONYL)-3-(ETHOXYCARBONYL)PIPERIDINE
BOC-DL-NIPC-OET
BOC-DL-PIC(3)-EOT
BOC-DL-PIC(3)-OET
ETHYL 1-BOC-3-PIPERIDINECARBOXYLATE
ETHYL N-BOC-NIPECOTATE
N-T-BUTOXYCARBONYL-DL-3-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-DL-NIPECOTIC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-DL-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-(+/-)-NIPECOTIC ACID ESTER
N-T-BUTOXYCARBONYL-(+/-)-NIPECOTIC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-(R,S)-NIPECOTIC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-(R,S)-NIPOCITUC ACID ETHYL ESTER
N-T-BUTOXYCARBONYL-(R,S)-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER
1-Boc-3-Piperidinecarboxylic acid ethyl ester
1-BOC-ETHYL NIPECOTATE
1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
1-(tert-butyl) 3-ethyl tetrahydro-1,3(2H)-pyridinedicarboxylate
1-(tert-Butyl) 3-ethyl 1,3-piperidinedicarboxylate
[EINECS(EC#)]

623-370-0
[Molecular Formula]

C13H23NO4
[MDL Number]

MFCD04116274
[Molecular Weight]

257.33
[MOL File]

130250-54-3.mol
Questions And AnswerBack Directory
[Synthesis]

Boc₂O (7.75 mL, 33.4 mmol) was added to a solution of ethyl piperidine-3-carboxylate (15 g, 95 mmol) in THF (159 mL) at room temperature, and the mixture was stirred for 16 h at room temperature. The resulting reaction mass was diluted with water (50 mL) and then extracted with ethyl acetate (3 x 100 mL). The combined organic extract was washed with saturated NaHCO₃ solution (1 x 200 mL) and brine (20 mL), dried (Na₂SO₄), filtered, and concentrated. The resulting residue was purified by ELSD ISCO on a 120 g silica gel column, eluting the compound in hexane to approximately 25% ethyl acetate. The pure fraction was collected and concentrated to give the desired product, 1-tert-butyl-3-ethylpiperidine-1,3-dicarboxylate. The final product, ethyl Ethyl 1-Boc-3-piperidinecarboxylate, was obtained in a yield of 23.39 g, 91 mmol, 95%.

Synthetic Route of Ethyl 1-Boc-3-piperidinecarboxylate

Chemical PropertiesBack Directory
[Melting point ]

31-35℃
[Boiling point ]

95℃/0.5mm
[density ]

1.077±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder to lump
[pka]

-2.40±0.40(Predicted)
[color ]

White to Yellow to Orange
[Sensitive ]

Moisture & Light Sensitive
[BRN ]

3614917
[InChI]

InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
[InChIKey]

YCXCRFGBFZTUSU-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCCC(C(OCC)=O)C1
[CAS DataBase Reference]

130250-54-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H319
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-43-52
[Safety Statements ]

26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

Reactant for synthesis of:
  • GABAA receptor agonists
  • Piperidine derivatives
  • Selective TACE inhibitors
  • HDL-elevating agents
  • α-Sulfonyl hydroxamic acid derivatives
  • chemicals in the Iboga-alkaloid family
[Uses]

Reactant for synthesis of:• ;GABAA receptor agonists1• ;Piperidine derivatives2• ;Selective TACE inhibitors3• ;HDL-elevating agents4• ;α-Sulfonyl hydroxamic acid derivatives5• ;chemicals in the Iboga-alkaloid family6
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 1-Boc-3-piperidinecarboxylate(130250-54-3)1HNMR
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