ChemicalBook--->CAS DataBase List--->147539-41-1

147539-41-1

147539-41-1 Structure

147539-41-1 Structure
IdentificationMore
[Name]

1-Boc-4-Methylaminopiperidine
[CAS]

147539-41-1
[Synonyms]

1-BOC-4-METHYLAMINOPIPERIDINE
1-N-BOC-4-(METHYLAMINO)PIPERIDINE
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-N-METHYLAMINO-1-BOC-PIPERIDINE
BUTTPARK 90\06-11
N-BOC-4-METHYLAMINOPIERIDINE
N-BOC-4-METHYLAMINOPIPERIDINE
N-BOC-4-N-METHYLAMINO PIPERIDINE
tert-butyl 4-(methylamino)piperidine-1-carboxylate
1-Boc-4-methylaminopieridine
1-TERT-BUTYLOXYCARBONYL-4-AMINOMETHYL-PIPERIDINE
1-Piperidinecarboxylic acid, 4-(methylamino)-, 1,1-dimethylethyl ester
1-Boc-4-methyl-aminopiperidine tert-butyl 4-(methylamino)piperidine-1-carboxylate
1-BOC-4-METHYLAMINOPIPERIDINE, 98+%
1-t-Butyloxycarbonyl-4-(aminomethyl)-piperidine hydrochloride
4-(Methylamino)piperidine, N1-BOC protected
[Molecular Formula]

C11H22N2O2
[MDL Number]

MFCD02259411
[Molecular Weight]

214.3
[MOL File]

147539-41-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

289.0±33.0 °C(Predicted)
[density ]

1.005 g/mL at 25 °C
[refractive index ]

n20/D1.468
[Fp ]

>110℃
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

10.19±0.20(Predicted)
[color ]

Colorless to Almost colorless
[Detection Methods]

GC
[InChI]

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13/h9,12H,5-8H2,1-4H3
[InChIKey]

CZYUGTLMFHDODF-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(NC)CC1
[CAS DataBase Reference]

147539-41-1(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335-H400
[Precautionary statements ]

P261-P264-P273-P301+P310-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2810
[WGK Germany ]

3
[F ]

10-34
[HazardClass ]

6.1
[PackingGroup ]

Ⅲ
[HS Code ]

29339900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->N,N-Dimethylformamide-->Triethylamine-->Palladium-->1,4-Dioxane-->Di-tert-butyl dicarbonate-->Methylamine-->1,2-Dichloroethane-->Sodium cyanoborohydride-->4,4-Piperidinediol hydrochloride-->Methylamine hydrochloride
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

1-Boc-4-(methylamino)piperidine is used as an organic chemical synthesis intermediate.
[Synthesis]

N-(tert-Butoxycarbonyl)-4-piperidone

79099-07-3

Methylamine

74-89-5

1-Boc-4-Methylaminopiperidine

147539-41-1

GENERAL STEPS: To a suspension of N-Boc-4-piperidone (10.00 g, 50.19 mmol) in ethanol (75 mL) was added 10% Pd/C catalyst (1.00 g, 10 wt%), methylamine (33% ethanol solution, 27 mL, 0.20 mol) and formic acid (46 mg, 1.00 mmol). The reaction mixture was placed in an autoclave, sealed under a hydrogen atmosphere at 4 MPa and stirred at 50°C overnight. After completion of the reaction, it was cooled to room temperature and filtered to remove the catalyst. The filtrate was concentrated in vacuum to afford 1-Boc-4-(methylamino)piperidine as a pale yellow liquid (10.70 g, 99% yield). Mass spectrum (ESI, cation mode) m/z: 215.3 [M + H]+; 1H NMR (400 MHz, CDCl3): δ (ppm) 4.01 (m, 2H), 2.79 (m, 2H), 2.48 (m, 1H), 2.42 (s, 3H), 1.83 (m, 2H), 1.44 (s, 9H), 1.28-1.15 (m, 2H).

[References]

[1] Patent: WO2015/73267, 2015, A1. Location in patent: Paragraph 332
[2] Patent: CN104650092, 2017, B. Location in patent: Paragraph 0533-0536
[3] Patent: US2006/160786, 2006, A1. Location in patent: Page/Page column 32
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 17, p. 4281 - 4285
[5] Patent: WO2005/7645, 2005, A1. Location in patent: Page 77
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-4-Methylaminopiperidine(147539-41-1)1HNMR
1-Boc-4-Methylaminopiperidine(147539-41-1)FT-IR
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