tert-Butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

HCID 11065582CAS 139290-70-3

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Grundinformationen

Standard-SMILES: CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: ITCQNWXLNZGEHP-UHFFFAOYSA-N
Summenformel: C13H24N2O4
Durchschnittliche Molmasse: 272,34 g/mol
Monoisotopische Masse: 272,17360725

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
Englischer Name: 1-Boc-4-[methoxy(methyl)carbamoyl]piperidine
Summenformel: C13H24N2O4
Molmasse: 272.34

Namen und Synonyme

139290-70-3tert-butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylatetert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylateM9N3LY5YV2DTXSID80453979RefChem:1099555DTXCID704047981-Boc-4-[methoxy(methyl)carbamoyl]piperidine1-Boc-4-(methoxy-methyl-carbamoyl)piperidine1-Boc-4-(Methoxy-methyl-carbamoyl)-piperidineMFCD07368262N'-Boc-N-methoxy-N-methylpiperidine-4-carboxamide

Weitere Namen anzeigen

N-BOC-4-(METHOXY-METHYL-CARBAMOYL)PIPERIDINE1-Boc-4-(N-Methoxy-N-MethylcarbaMoyl)piperidine1-Boc-N-methoxy-N-methyl-4-piperidinecarboxamideN’-Boc-N-methoxy-N-methylpiperidine-4-carboxamide4-[Methoxy(methyl)carbamoyl]piperidine, N1-BOC protected4-[(MethoxyMethylaMino)carbonyl]-1-piperidinecarboxylic Acid4-[Methoxy(methyl)carbamoyl]piperidine, N1-BOC protected 98%ert-Butyl4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

Tert-butyl 4-(N-methoxy-N-methylcarbamoyl)piperidine-1-carboxylatetert-Butyl 4-(N-Methoxy-N-methylcarbamoyl)-1-piperidinecarboxylate1-Boc-4-(methoxy-methyl carbamoyl)piperidine1-PIPERIDINECARBOXYLIC ACID, 4-[(METHOXYMETHYLAMINO)CARBONYL]-, 1,1-DIMETHYLETHYL ESTER1-(tert-Butoxycarbonyl)-4-(N-methoxy-N-methylcarbamoyl)piperidN-Methoxy-N-methyl 1-(1,1-Dimethylethyloxycarbonyl)-4-piperidine carboxamidetert-butyl 4-(methoxy(methyl)carbamoyl)-piperidine-1-carboxylatetert-Butyl 4-[methoxy(methyl)carbamoyl]-piperidine-1-carboxylate

Datenbank-Bezeichner

CAS: 139290-70-3
PubChem CID: 11065582
DTXSID: DTXSID80453979
UNII: M9N3LY5YV2
EC Number: 821-259-3
Nikkaji: J607.851F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 59,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 330

Physikochemische Eigenschaften

Schmelzpunkt: 71 to · 71.0 to 75.0 °C
Siedepunkt: 150 °C/0.9mmHg · 150°C/0.9mmHg(lit.)
Dichte: 1.106 · 1.106±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Aggregatzustand: Oil
pka: -2.31 · -2.31±0.40(Predicted)
Farbe: Pale Yellow
InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
InChIKey: ITCQNWXLNZGEHP-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(N(OC)C)=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.