tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate
Grundinformationen
- CAS
140695-85-8- Standard-SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](CO)C1- InChIKey
OJCLHERKFHHUTB-SECBINFHSA-N- Summenformel
- C11H21NO3
- Durchschnittliche Molmasse
- 215,29 g/mol
- Monoisotopische Masse
- 215,15214353
Namen und Bezeichner
- Bevorzugter Name
- tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate
- Englischer Name
- (R)-1-Boc-3-(hyroxymethyl)piperidine
- Summenformel
- C11H21NO3
- Molmasse
- 215.29
Namen und Synonyme
140695-85-8tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylateDTXSID50363894RefChem:383010DTXCID30314940674-619-5(R)-1-Boc-3-(Hydroxymethyl)Piperidine(R)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate(R)-1-Boc-3-(hyroxymethyl)piperidineMFCD02683202(R)-1-N-BOC-3-HYDROXYMETHYL-PIPERIDINE(R)-(-)-1-BOC-3-(HYDROXYMETHYL)PIPERIDINE
Weitere Namen anzeigen
tube1045BOC-R-PIP-3MEOHN-BOC-(3R)-PIP(3-CH2OH)(R)-N-Boc-3-piperidinemethanol3-(R)-N-BOC-PIPERIDINE METHANOL(R)-N-Boc-piperdine-3-hydroxymethyl(R)-N-BOC-3-HYDROXYMETHYL PIPERIDINE(R)-N-Boc-3-(hyroxymethyl)piperidine
(R)-1-N-BOC-3-(HYDROXYMETHYL)PIPERIDINESCHEMBL344916orb3030869OJCLHERKFHHUTB-SECBINFHSA-NFr13250(R)-1-N-BOC-3-(R)-1-Boc-3-hydroxymethylpiperidineN-BOC-3(R)-hydroxymethyl-piperidine
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 49,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 222
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-81 °C
- Siedepunkt
- 308 · 308.0±15.0 °C(Predicted)
- Dichte
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.93 · 14.93±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White to yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
- InChIKey
- OJCLHERKFHHUTB-SECBINFHSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC[C@@H](CO)C1
- CAS Datenbank
- 140695 · 140695-85-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.3%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Sicherheitsdaten
- ridadr
- UN2811
- hs_code
- 2933399990
- risk_code
- 25-36-50
- hazard_code
- Xi,N,T
- safety_code
- 26-45-61
Chemie und Industrie
Anwendungen
Verwenden(R)-(-)-1-Boc-3-(hydroxymethyl)piperidine is used as pharmaceutical intermediate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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