1-(tert-Butoxycarbonyl)-4-((p-toluenesulfonyloxy)methyl)piperidine

HCID 10642851

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Grundinformationen

CAS: 166815-96-9
Standard-SMILES: Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey: DARTVAOOTJKHQW-UHFFFAOYSA-N
Summenformel: C18H27NO5S
Durchschnittliche Molmasse: 369,5 g/mol
Monoisotopische Masse: 369,16099396

Namen und Bezeichner

Bevorzugter Name: 1-(tert-Butoxycarbonyl)-4-((p-toluenesulfonyloxy)methyl)piperidine
IUPAC: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
Englischer Name: N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine
Summenformel: C18H27NO5S
Molmasse: 369.48

Namen und Synonyme

1-(tert-Butoxycarbonyl)-4-[(p-toluenesulfonyloxy)methyl]piperidine1-(tert-Butoxycarbonyl)-4-((p-toluenesulfonyloxy)methyl)piperidineRefChem:428694682-427-8166815-96-9tert-butyl 4-((tosyloxy)methyl)piperidine-1-carboxylateN-Boc-4-(4-Toluenesulfonyloxymethyl)piperidineN-TERT-BUTOXYCARBONYL-4-(4-TOLUENESULFONYLOXYMETHYL)PIPERIDINEMFCD058647401-Boc-4-(tosyloxymethyl)piperidinetert-butyl 4-{[(4-methylbenzenesulfonyl)oxy]methyl}piperidine-1-carboxylate1-Boc-4-[(tosyloxy)methyl]piperidine

Weitere Namen anzeigen

tert-Butyl 4-((tosyloxy)1-N-bOC-4-(4-TOLUENESULFONYLOXYMETHYL)PIPERIDINE1-Boc-4-(p-toluenesulfonyloxymethyl)piperidine,96%1-Boc-4-(p-toluenesulfonyloxyMethyl)piperidine, 96%N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)

tert-butyl 4-(tosyloxymethyl)piperidine-1-carboxylateTert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate1-(tert-Butoxycarbonyl)-4-(tosyloxymethyl)piperidine1-Boc-4-(p-toluenesulfonyloxymethyl)piperidinetert-butyl 4-({[(4-methylphenyl)sulfonyl]oxy}methyl)piperidine-1-carboxylate1-piperidinecarboxylic acid, 4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl esterF2167-0074t-butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate

Datenbank-Bezeichner

CAS: 166815-96-9
PubChem CID: 10642851
DTXSID: DTXSID50442916
ChEMBL: CHEMBL4978805
EC Number: 682-427-8
Nikkaji: J2.906.209I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 81,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 25
Formalladung: 0
Komplexität: 533

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-76℃
Siedepunkt: 487.8 · 487.8±18.0 °C(Predicted)
Dichte: 1.174 · 1.174±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.94 · -1.94±0.40(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3
InChIKey: DARTVAOOTJKHQW-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(COS(C2=CC=C(C)C=C2)(=O)=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

hs_code: 2933399990
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwendentert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate is a useful intermediate used in the preparation of biologically active molecules with pharmacological applications.