Methyl N-Boc-piperidine-3-carboxylate Chemical Properties

Melting point:

47.0 to 51.0 °C

Boiling point:

307.4±35.0 °C(Predicted)

Density 

1.094±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

powder to crystal

pka

-2.48±0.40(Predicted)

color 

White to Light yellow

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3

InChIKey

LYYJQMCPEHXOEW-UHFFFAOYSA-N

SMILES

N1(C(OC(C)(C)C)=O)CCCC(C(OC)=O)C1

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36

HS Code 

29333990

Methyl N-Boc-piperidine-3-carboxylate Usage And Synthesis

Chemical Properties

White solid

Synthesis

Trimethylsilylated diazomethane (14.18 ml, 2.0 M, 28.35 mmol) was added slowly and dropwise to a 20% methanol/toluene (100 ml) solution of 1-BOC-piperidine-3-carboxylic acid (5.00 g, 21.81 mmol) at room temperature. The reaction was monitored by thin layer chromatography (TLC) until the reaction was completed. After completion of the reaction, the reaction mixture was concentrated under reduced pressure to afford methyl N-Boc-3-piperidinecarboxylate (Intermediate 53) 4.44 g in 83.7% yield. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δppm 1.4 (s, 9H), 1.6 (d, J = 3.4 Hz, 1H), 1.6 (m, 1H), 1.7 (m, 1H), 2.0 (m, 1H), 2.4 (m, 1H), 2.8 (m, 1H), 3.0 (s, 1H), 3.7 (s, 3H) , 3.9 (d, J13.2 Hz, 1H), 4.1 (s, 1H).

References

[1] Patent: US2006/116376, 2006, A1. Location in patent: Page/Page column 16
[2] Patent: WO2011/141728, 2011, A1. Location in patent: Page/Page column 19-20

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