ChemicalBook--->CAS DataBase List--->1159983-30-8

1159983-30-8

1159983-30-8 Structure

1159983-30-8 Structure
IdentificationBack Directory
[Name]

1-Boc-4-amino-4-piperidineacetic acid
[CAS]

1159983-30-8
[Synonyms]

2-(4-Amino-1-(tert-butoxycarbonyl)
1-Boc-4-amino-4-piperidineacetic acid
2-(1-Boc-4-amino-4-piperidyl)acetic Acid
2-(4-Amino-1-boc-piperidin-4-yl)acetic Acid
2-(4-AMINO-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)ACETIC ACID
4-Piperidineacetic acid, 4-amino-1-[(1,1-dimethylethoxy)carbonyl]-
2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
[Molecular Formula]

C12H22N2O4
[MDL Number]

MFCD08460439
[MOL File]

1159983-30-8.mol
[Molecular Weight]

258.31
Chemical PropertiesBack Directory
[Boiling point ]

398.9±27.0 °C(Predicted)
[density ]

1.158±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[pka]

4.66±0.10(Predicted)
[InChI]

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(13,5-7-14)8-9(15)16/h4-8,13H2,1-3H3,(H,15,16)
[InChIKey]

BGBMNGXKKOJOSX-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(N)(CC(O)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

1-Boc-4-amino-4-piperidineacetic acid can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
[Synthesis]

Synthesis_1159983-30-8
A mixture of 4-oxo-piperidine- 1 -carboxylic acid tert-butyl ester (3.5 g, 17.55 mmol) (Sigma- Aldrich), malonic acid (2.0 g, 19.30 mmol) and ammonium acetate (3.1 g, 40.36 mmol) in n-BuOH was refluxed for 3 h. After cooled, white solid was collected, rinsed with EtOAc and dried in vacuo to provide the title compound 1.61 g (6.2 mmol) in 36% yield.
[References]

[1] Patent: WO2013/134660, 2013, A1. Location in patent: Paragraph 0373
[2] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 10, p. 1071 - 1074
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