3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-

HCID 179824CAS 102308-32-7

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1[C@H](C=O)COC1(C)C
InChIKey: PNJXYVJNOCLJLJ-MRVPVSSYSA-N
Summenformel: C11H19NO4
Durchschnittliche Molmasse: 229,27 g/mol
Monoisotopische Masse: 229,13140809

Namen und Bezeichner

Bevorzugter Name: 3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-
IUPAC: tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Englischer Name: (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
Summenformel: C11H19NO4
Molmasse: 229.27

Namen und Synonyme

102308-32-7tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate(S)-Garner aldehyde41AJ913HQI3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-(S)-GARNER'S ALDEHYDEDTXSID70144900GARNER'S ALDEHYDE S-FORM [MI](S)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester(-)-TERT-BUTYL 4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE(S)-TERT-BUTYL 4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE

Weitere Namen anzeigen

tert-butyl (S)-4-formyl-2,2-dimethyloxazolidine-3-carboxylateGARNER'S ALDEHYDES-Garner'saldehyde(-)-Garner aldehyde1,1-DiMethylethyl1,1-DiMethylethyl(-)-n-boc-n,o-isopropylidene-l-serinal3-trans-bromocarbon-2,2'-dimethyloxoester

RefChem:498082DTXCID0067391GARNER'S ALDEHYDE S-FORM624-797-5(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydetert-Butyl (S)-(-)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylateMFCD00209557(S)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde

Datenbank-Bezeichner

CAS: 102308-32-7
PubChem CID: 179824
DTXSID: DTXSID70144900
UNII: 41AJ913HQI
EC Number: 624-797-5
Nikkaji: J293.517A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 293

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-38 °C
Siedepunkt: 83 · 83-88 °C1 mm Hg(lit.)
Dichte: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.445(lit.)
Flammpunkt: 226 °F · 226 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: -3.26 · -3.26±0.60(Predicted)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 3591324 · 3591324
InChI: 1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKey: PNJXYVJNOCLJLJ-MRVPVSSYSA-N
SMILES: [H]C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
CAS Datenbank: 102308 · 102308-32-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.