3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-

HCID 178792CAS 95715-87-0

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1[C@@H](C=O)COC1(C)C
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-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, (R)-(+)-
IUPAC: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Englischer Name: tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate
Summenformel: C11H19NO4
Molmasse: 229.27

Namen und Synonyme

95715-87-0(R)-Garner Aldehyde(R)-Garner's aldehydeGarner's aldehyde R-form [MI]UPK623LV603-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-3-Oxazolidinecarboxylic acid, 4-forMyl-2,2-diMethyl-, 1,1-diMethylethyl ester, (4R)-(+)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl esterRefChem:498081GARNER'S ALDEHYDE R-FORM

Weitere Namen anzeigen

tert-butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate(R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidinetert-Butyl (4R)-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylatetert-Butyl (R)R-Garner'saldehyde(S)-Garner's Aldehyde(+)-n-boc-n,o-isopropylidene-d-serinal(R)-2,2-diMethyloxazolidine-4-carbaldehyde

(R)-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylatetert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD00674064tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydeUNII-UPK623LV60(R)-4-Formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester(4R)-3-tert-Butoxycarbonyl-2,2-dimethyl-4-formyloxazolidine

Datenbank-Bezeichner

CAS: 95715-87-0
PubChem CID: 178792
DTXSID: DTXSID70914847
UNII: UPK623LV60
EC Number: 627-510-1
Nikkaji: J329.940F

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

Siedepunkt: 67 °C/0.3 · 67 °C/0.3 mmHg(lit.)
Dichte: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
Brechungsindex: 1.445 · 1.445-1.447
Flammpunkt: 107 °C · 107 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform, Dichloromethane, Ethyl Acetate
pka: -3.26 · -3.26±0.60(Predicted)
Aggregatzustand: Oil
Farbe: Colorless to pale yellow
BRN: 3651554 · 3651554
InChI: 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-/m0/s1
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
SMILES: O1C[C@H](C=O)N(C(OC(C)(C)C)=O)C1(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.