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189321-63-9

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189321-63-9 Structure

189321-63-9 Structure
IdentificationMore
[Name]

1-Boc-4-methylpiperidine-4-carboxylic acid
[CAS]

189321-63-9
[Synonyms]

1-BOC-4-METHYL-PIPERIDINE-4-CARBOXYLIC ACID
4-METHYL-4-CARBOXY-1-N-BOC-PIPERIDINE
4-METHYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER
CHEMBRDG-BB 4002933
N-BOC-4-METHYL-4-METHYLPIPERIDINECARBOXYLIC ACID
N-BOC-4-METHYL-4-PIPERIDINECARBOXYLIC ACID
N-BOC-4-METHYL ISONIPECOTIC ACID
1-Boc-4-methyl-4-piperidinecarboxylic Acid
1-(tert-Butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid
N-BOC-4-METHYL-4-METHYLPIPERIDINECARBOXYLIC ACIDN-BOC-4-METHYL ISONIPECOTIC ACID
1-N-Boc-4-methyl-piperidine-4-carboxylic acid
1-BOC-4-METHYL-ISONIPECOTIC ACID
1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C12H21NO4
[MDL Number]

MFCD02179132
[Molecular Weight]

243.3
[MOL File]

189321-63-9.mol
Chemical PropertiesBack Directory
[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)
[Appearance]

White to off-white Solid
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[RIDADR ]

UN2811
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Petroleum ether-->n-Butyllithium-->Ammonium chloride-->Iodomethane-->Di-tert-butyl dicarbonate-->Diisopropylamine-->Lithium hydroxide monohydrate-->Ethyl 4-piperidinecarboxylate
Hazard InformationBack Directory
[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).
[References]

[1] Patent: WO2008/89201, 2008, A2. Location in patent: Page/Page column 234
[2] Patent: US2010/137305, 2010, A1. Location in patent: Page/Page column 36
[3] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 14, p. 3675 - 3678
[4] Patent: US6083949, 2000, A
[5] Patent: EP854870, 2009, B1. Location in patent: Page/Page column 42
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-4-methylpiperidine-4-carboxylic acid(189321-63-9)1HNMR
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