ChemicalBook--->CAS DataBase List--->98977-36-7

98977-36-7

98977-36-7 Structure

98977-36-7 Structure
IdentificationMore
[Name]

1-Boc-3-piperidone
[CAS]

98977-36-7
[Synonyms]

1-BOC-3-PIPERIDINONE
1-BOC-3-PIPERIDONE
1-BOC-PIPERIDIN-3-ONE
1-N-BOC-3-PIPERIDONE
1-PIPERIDINECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER
1-(TERT-BUTOXYCARBONYL)-3-PIPERIDINONE
1-(TERT-BUTOXYCARBONYL)-3-PIPERIDONE
3-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-OXOPIPERIDINE, N-BOC PROTECTED
BOC-3-PIPERIDONE
N-BOC-3-PIPERIDINONE
N-Boc-3-piperidone
N-(TERT-BUTOXYCARBONYL)-3-PIPERIDINONE
T-BUTYL-3-PIPERIDONE-1-CARBOXYLATE
TERT-BUTYL 3-OXOPIPERIDINE-1-CARBOXYLATE
1,1-Dimethylethyl 3-Oxo-1-Piperidine Carboxylate
Tert-butyl-3-oxo-1-piperidinecarboxylate
1-Boc-3-piperidone,97%
1-N-TERT-BUTOXYCARBONYL-3-PIPERIDONE
3-Oxopiperidine, N-BOC protected 97%
[EINECS(EC#)]

629-575-1
[Molecular Formula]

C10H17NO3
[MDL Number]

MFCD01631193
[Molecular Weight]

199.25
[MOL File]

98977-36-7.mol
Chemical PropertiesBack Directory
[Appearance]

White to yellow low melting solid
[Melting point ]

35-40 °C (lit.)
[Boiling point ]

289.8±33.0 °C(Predicted)
[density ]

1.099±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Store at?0-5°C
[form ]

Liquid
[pka]

-1.71±0.20(Predicted)
[color ]

Clear colorless
[Water Solubility ]

It is insoluble in water.
[BRN ]

5936353
[InChI]

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
[InChIKey]

RIFXIGDBUBXKEI-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCCC(=O)C1
[CAS DataBase Reference]

98977-36-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HazardClass ]

KEEP COLD
[HS Code ]

29333990
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to yellow low melting solid
[Uses]

1-Boc-3-piperidone, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Synthesis]

With 179g compound 3(1-BOC-3-piperidines alcohol) drop in the 2L reaction flask, drop into pimelinketone 1300g, aluminum isopropylate 88g, methylene dichloride 400ml is warming up to 80 ℃, insulation reaction 8h, reaction finishes to be cooled to room temperature, adds 10% sodium hydroxide 200ml, stirring at normal temperature 30min, filter, the filtrate normal pressure reclaims methylene dichloride, reclaim under reduced pressure pimelinketone again, reclaim finish after, add the 300ml dichloromethane extraction three times, it is dry concentrated to merge oil reservoir, gets 1-BOC-3-piperidone crude product.
Refining: with 1-BOC-3-piperidone crude product is that 60pa, temperature are to distill under 104 ~ 105 ℃ the condition at pressure, gets 1-BOC-3-piperidone elaboration 163g, 92.9%.
[References]

[1] Patent: CN107573278, 2018, A. Location in patent: Paragraph 0055; 0059-0061; 0076-0077
[2] Patent: US2011/105520, 2011, A1. Location in patent: Page/Page column 36
[3] Patent: WO2009/82134, 2009, A2. Location in patent: Page/Page column 37
[4] Patent: WO2013/13308, 2013, A1. Location in patent: Paragraph 00250-00252
[5] Patent: US2003/220341, 2003, A1. Location in patent: Page/Page column 15-16
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-3-piperidone(98977-36-7)1HNMR
1-Boc-3-piperidone(98977-36-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-BOC-3-piperidone, 97%(98977-36-7)
[Alfa Aesar]

1-Boc-3-piperidone, 97%(98977-36-7)
[Sigma Aldrich]

98977-36-7(sigmaaldrich)
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