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1-Boc-4-methylpiperidine-4-carboxylic acid

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1-Boc-4-methylpiperidine-4-carboxylic acid Basic information

Product Name:
1-Boc-4-methylpiperidine-4-carboxylic acid
Synonyms:
  • N-BOC-4-METHYL ISONIPECOTIC ACID
  • N-BOC-4-METHYL-4-METHYLPIPERIDINECARBOXYLIC ACID
  • N-BOC-4-METHYL-4-PIPERIDINECARBOXYLIC ACID
  • CHEMBRDG-BB 4002933
  • 4-METHYL-4-CARBOXY-1-N-BOC-PIPERIDINE
  • 4-METHYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER
  • 1-BOC-4-METHYL-PIPERIDINE-4-CARBOXYLIC ACID
  • 1-Boc-4-methyl-4-piperidinecarboxylic Acid
CAS:
189321-63-9
MF:
C12H21NO4
MW:
243.3
Product Categories:
  • API intermediates
  • Amino Acids and Derivatives
  • Heterocycles
  • Pyridines
Mol File:
189321-63-9.mol
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1-Boc-4-methylpiperidine-4-carboxylic acid Chemical Properties

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)
InChIKey
OKBNEDPOUYRYNP-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)CCC(C)(C(O)=O)CC1
CAS DataBase Reference
189321-63-9(CAS DataBase Reference)
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Safety Information

RIDADR 
UN2811
HazardClass 
IRRITANT
HS Code 
2933399990
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1-Boc-4-methylpiperidine-4-carboxylic acid Usage And Synthesis

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).

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