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142253-54-1

142253-54-1 Structure

142253-54-1 Structure
IdentificationMore
[Name]

1-Boc-3-Cyanoazetidine
[CAS]

142253-54-1
[Synonyms]

1-N-BOC-3-CYANO-AZETIDINE
3-CYANO-1-BOC-AZETIDINE
3-CYANO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-T-BOC-3-CYANOAZETIDINE
TERT-BUTYL 3-CYANOAZETIDINE-1-CARBOXYLATE
N-Boc-3-Cyanoazetidine
1-Boc-3-cyanoazetidine
[EINECS(EC#)]

640-760-6
[Molecular Formula]

C9H14N2O2
[MDL Number]

MFCD06796640
[Molecular Weight]

182.22
[MOL File]

142253-54-1.mol
Chemical PropertiesBack Directory
[Melting point ]

68-71°C
[Boiling point ]

290.2±33.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

-4.29±0.40(Predicted)
[InChIKey]

WEFREESWPHICPL-UHFFFAOYSA-N
[CAS DataBase Reference]

142253-54-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S9:Keep container in a well-ventilated place .
[RIDADR ]

3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2933998090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Thionyl chloride-->Toluene-->Ammonia-->Lithium Aluminum Hydride-->Palladium-->Acetonitrile-->Formaldehyde-->Di-tert-butyl dicarbonate-->Diethyl malonate-->Phosphorus pentoxide-->N,N-Diisopropylethylamine
[Preparation Products]

tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate-->AZETIDINE-3-CARBONITRILE HYDROCHLORIDE
Hazard InformationBack Directory
[Uses]

1-?(N-?Boc)?-?3-?cyanoazetidine can be used as reagent/reactant for preparation and SAR of pyridinylmethanol derivatives as TRPV3 antagonists. It can also be used as reagent/reactant for preparation of substituted pyridines via nucleophilic aromatic substitution of cyanopyridines with disubstituted esters and nitriles.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-3-Cyanoazetidine(142253-54-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Boc-3-cyanoazetidine, 97%(142253-54-1)
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