CAS 114214-71-0 tert-Butyl 3-methylidenepyrrolidine-1-carboxylate (HCID 15297967)

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Grundinformationen

CAS: 114214-71-0
Standard-SMILES: C=C1CCN(C(=O)OC(C)(C)C)C1
InChIKey: PXTONRTYYUAUJU-UHFFFAOYSA-N
Summenformel: C10H17NO2
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,12592879

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 3-methylidenepyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-methylidenepyrrolidine-1-carboxylate
Englischer Name: tert-butyl 3-Methylenepyrrolidine-1-carboxylate
Summenformel: C10H17NO2
Molmasse: 183.25

Namen und Synonyme

114214-71-0tert-butyl 3-methylidenepyrrolidine-1-carboxylateDTXSID20571121RefChem:893416DTXCID70521893852-476-1tert-butyl 3-methylenepyrrolidine-1-carboxylate1-Boc-3-methylenepyrrolidineMFCD124079031-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester1-BOC-3-METHYLENE-PYRROLIDINE3-Methylenepyrrolidine-1-carboxylic Acid tert-Butyl Ester

Weitere Namen anzeigen

N-Boc-3-methylenepyrrolidine1-Boc-3-Methylenepyrrolid...3-Methylene-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethy...

tert-Butyl3-methylenepyrrolidine-1-carboxylate3-Methylene-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1063509SCHEMBL8253350PXTONRTYYUAUJU-UHFFFAOYSA-N3-Methylenepyrrolidine-1-carboxylicAKOS015841217PB15089

Datenbank-Bezeichner

CAS

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 236.7 · 236.7±29.0 °C(Predicted)
Dichte: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.49 · -1.49±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Methylenepyrrolidine-1-carboxylic Acid tert-Butyl Ester, can be used as an intermediate for variety of chemical synthesis. It can be used for the preparation of aminomethylated 4-fluoropiperidines and 3-fluoropyrrolidines, which are of specific interest as bifunctional building blocks for fluorinated pharmaceutical compds.