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161948-70-5

161948-70-5 Structure

161948-70-5 Structure
IdentificationBack Directory
[Name]

N-BOC-4-CARBOXYMETHOXY-PIPERIDINE
[CAS]

161948-70-5
[Synonyms]

ST5313750
ASN 07731208
ASINEX-REAG BAS 07731208
1-Boc-4-Carboxymethoxy-Piperidine
N-BOC-4-CARBOXYMETHOXY-PIPERIDINE
2-[(1-Boc-4-piperidyl)oxy]acetic Acid
(1-Boc-4-piperidinyloxy)aceticacid,95%
(1-Boc-4-piperidinyloxy)acetic acid, 95%
(1-Boc-4-piperidinyloxy)acetic acid - [C0836]
2-[(1-tert-Butoxycarbonyl-4-piperidyl)oxy]acetic acid
{[1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}acetic acid
2-[[1-(tert-butoxy-oxomethyl)-4-piperidinyl]oxy]acetic acid
4-CARBOXYMETHOXY-PIPERIDINE-1-CARBOXYLIC ACIDTERT-BUTYL ESTER
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid
2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]acetate
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethanoic acid
1-Piperidinecarboxylic acid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C12H21NO5
[MDL Number]

MFCD02178987
[MOL File]

161948-70-5.mol
[Molecular Weight]

259.3
Chemical PropertiesBack Directory
[Melting point ]

105-107℃
[Boiling point ]

406.7±35.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

3.42±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-9(5-7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
[InChIKey]

YHUAHIMRWSVXCN-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,T
[Risk Statements ]

25
[Safety Statements ]

45
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

N-BOC-4-CARBOXYMETHOXY-PIPERIDINE(161948-70-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-BOC-4-ETHOXYCARBONYLMETHOXYPIPERIDINE

189889-45-0

N-BOC-4-CARBOXYMETHOXY-PIPERIDINE

161948-70-5

GENERAL STEPS: To a 100 mL round bottom flask was added tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate (5.00 g, 17.4 mmol), sodium hydroxide (3.00 g, 75.0 mmol), water (20 mL), and ethanol (20 mL). The reaction mixture was stirred at room temperature for 48 hours. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The pH of the residue was adjusted with 3 mol/L hydrochloric acid solution to 2. Subsequently, the aqueous phase was extracted with ethyl acetate (2 x 20 mL), and the organic layers were combined and concentrated under reduced pressure to afford 4.00 g (89% yield) of 2-([1-[(tert-butoxy)carbonyl]piperidin-4-yl]oxy)acetic acid as an oil. Thin layer chromatography (TLC) analytical conditions: dichloromethane/methanol = 5/1, Rf = 0.4.

[References]

[1] Patent: WO2017/89390, 2017, A1. Location in patent: Page/Page column 97; 98
[2] European Journal of Medicinal Chemistry, 1999, vol. 34, # 5, p. 363 - 380
[3] Patent: WO2014/151958, 2014, A1. Location in patent: Paragraph 00290
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