CAS 143900-43-0 (R)-1-Boc-3-hydroxypiperidine (HCID 1514398)

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Grundinformationen

CAS: 143900-43-0
Standard-SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](O)C1
InChIKey: UIJXHKXIOCDSEB-MRVPVSSYSA-N
Summenformel: C10H19NO3
Durchschnittliche Molmasse: 201,26 g/mol
Monoisotopische Masse: 201,13649347

Namen und Bezeichner

Bevorzugter Name: (R)-1-Boc-3-hydroxypiperidine
IUPAC: tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate
Englischer Name: (R)-1-Boc-3-Hydroxypiperidine
Summenformel: C10H19NO3
Molmasse: 201.26

Namen und Synonyme

(R)-1-Boc-3-hydroxypiperidine143900-43-0DTXSID60363880RefChem:210850DTXCID50314927626-867-0tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate(R)-tert-Butyl 3-hydroxypiperidine-1-carboxylate(R)-1-N-Boc-3-hydroxypiperidineMFCD041153061-Piperidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3R)-(R)-3-hydroxy-1-boc piperidine

Weitere Namen anzeigen

Ibrutinib INT2Peridine Impurity 2(R)-1-BOC-3-PIPERIDINOL(R)-N-BOC-3-HYDROXYPIPERIDINE(R)-1-Boc-3-hydroxypiperidine,97%(R)-1-Boc-3-hydroxypiperidine 95%

(3R)-1-(tert-Butoxycarbonyl)-3-hydroxypiperidinetert-butyl (R)-3-hydroxypiperidine-1-carboxylate(r)-3-hydroxy-piperidine-1-carboxylic acid tert-butyl esterB4199(R)-1-(tert-butoxycarbonyl)-3-hydroxypiperidine(r)-tert butyl-3-hydroxypiperidine-1-carboxylate(R)-tert-butyl 3-hydroxy-1-piperidinecarboxylatetert-butyl (3R)-3-hydroxypiperidin-1-carboxylate

Datenbank-Bezeichner

CAS: 143900-43-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Schmelzpunkt: 43 · 43-50 °C
Siedepunkt: 292.3 · 292.3±33.0 °C(Predicted)
Dichte: 1.107 · 1.107±0.06 g/cm3(Predicted)
Flammpunkt: 104 °C · 104°C
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
pka: 14.74 · 14.74±0.20(Predicted)
Aggregatzustand: Low Melting Solid
Farbe: White to tan
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: UIJXHKXIOCDSEB-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC[C@@H](O)C1
CAS Datenbank: 143900 · 143900-43-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (95.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (95.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 36/37/38-41-37/38-25
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-1-Boc-3-hydroxypiperidine has been used as a reactant for the synthesis of piperidinyl and pyrrolidinyl butyrates. It has also been used for the synthesis of constrained (-)-S-adenosyl-L-homocysteine (SAH) analogs as DNA methyltransferase inhibitors.