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ChemicalBook--->CAS DataBase List--->193269-78-2

193269-78-2

193269-78-2 Structure

193269-78-2 Structure
IdentificationMore
[Name]

1-Boc-3-(Amino)azetidine
[CAS]

193269-78-2
[Synonyms]

1-BOC-3-(AMINO)AZETIDINE
1-BOC-3-AMINOAZETIDINE HYDROCHLORIDE
3-AMINO-1-BOC-AZETIDINE
3-AMINO-1-N-BOC-AZETIDINE
3-AMINO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-AMINO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER HYDROCHLORIDE
3-AMINOAZETIDINE, N1-BOC PROTECTED
TERT-BUTYL 3-AMINOAZETIDINE-1-CARBOXYLATE
1-N-Boc-3-aminoazetidine
3-amino-1-azetidinecarboxylate
3-Aminoazetidine, N1-BOC protected 97%
1-Boc-3-Aminoazatidine
3-AMINO-1-BOC-AZETIDINE 98%
N-BOC-3-AMINOAZETIDINE HYDROCHLORIDE
Boc-3-(Amino)azetidine
[EINECS(EC#)]

205-071-3
[Molecular Formula]

C8H16N2O2
[MDL Number]

MFCD01861753
[Molecular Weight]

172.22
[MOL File]

193269-78-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

79-81 3mm
[density ]

1.1g/ml
[refractive index ]

1.4650
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO, Methanol, Water
[form ]

Oil
[pka]

8.29±0.20(Predicted)
[color ]

Clear Colourless to Pale Yellow
[InChI]

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5,9H2,1-3H3
[InChIKey]

WPGLRFGDZJSQGI-UHFFFAOYSA-N
[SMILES]

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

193269-78-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2735
[Hazard Note ]

Irritant
[HazardClass ]

8
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->Methanol-->N,N-Dimethylformamide-->Toluene-->Triethylamine-->Palladium-->1,4-Dioxane-->Dimethyl sulfoxide-->Di-tert-butyl dicarbonate-->Xylene-->Hydrazine hydrate-->Triphenylphosphine-->Potassium iodide-->Iodine-->Epichlorohydrin-->Methanesulfonyl chloride-->Imidazole-->Citric acid-->Potassium phthalimide-->3-Hydroxyazetidine hydrochloride-->Benzhydrylamine-->Cetyltributylphosphonium bromide
Hazard InformationBack Directory
[Chemical Properties]

Clear Colourless to Pale Yellow Oil
[Synthesis]

1-Boc-3-azido-azetidine

429672-02-6

1-Boc-3-(Amino)azetidine

193269-78-2

General procedure for the synthesis of tert-butyl 3-aminoazetidine-1-carboxylate from 1-BOC-3-azidoazetidine: tert-butyl 3-azidoazetidine-1-carboxylate (0.420 g, 2.19 mmol) was dissolved in EtOAc (20 mL) and 10% Pd/C (100 mg) was added. The reaction mixture was stirred under hydrogen atmosphere (balloon). After 12 h of reaction, the catalyst was removed by filtration through a diatomaceous earth pad. The filtrate was concentrated in vacuum to give a colorless oily product (1.76 g, 99% yield), which could be used in subsequent reactions without further purification.1H NMR (CDCl3): δ 1.50 (s, 9H).

[References]

[1] Patent: WO2004/74283, 2004, A1. Location in patent: Page 40
[2] Patent: US2011/166121, 2011, A1. Location in patent: Page/Page column 56
[3] Patent: US2003/229226, 2003, A1. Location in patent: Page 21-22
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-3-(Amino)azetidine(193269-78-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Boc-3-aminoazetidine, 94%(193269-78-2)
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