(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HCID 11053463CAS 108149-65-1

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1[C@@H](CO)COC1(C)C
InChIKey: DWFOEHLGMZJBAA-QMMMGPOBSA-N
Summenformel: C11H21NO4
Durchschnittliche Molmasse: 231,29 g/mol
Monoisotopische Masse: 231,14705815

Namen und Bezeichner

Bevorzugter Name: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Englischer Name: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
Summenformel: C11H21NO4
Molmasse: 231.29

Namen und Synonyme

(S)-4-HYDROXYMETHYL-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTERRefChem:408047802-260-8108149-65-1(S)-tert-butyl 4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylate(S)-1-Boc-2,2-Dimethyl-4-hydroxymethyl-oxazolidinetert-Butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD11041410tert-butyl (S)-4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateSCHEMBL1526136AS-36335B5657

Weitere Namen anzeigen

(S)-N-Boc-4-(hydroxymethyl)-2,2-dimethyloxazolidine(S)-3-Boc-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic ac...(S)-3-(tert-Butoxycarbonyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-

CS-0130855(S)-4-hydroxymethyl-2DTXSID40453495IEA14965(S)-tert-butyl4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateAKOS015909330SY026602EN300-651262

Datenbank-Bezeichner

CAS: 108149-65-1
PubChem CID: 11053463
DTXSID: DTXSID40453495
EC Number: 802-260-8
Nikkaji: J889.102H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 270

Physikochemische Eigenschaften

Schmelzpunkt: 36 °C · 36 °C
Siedepunkt: 314.1 · 314.1±27.0 °C(Predicted)
Dichte: 1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to lump to clear liquid
pka: 14.54 · 14.54±0.10(Predicted)
Farbe: White or Colorless to Light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

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

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