Diallyl diisopropylphosphoramidite

HCID 4686855

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Grundinformationen

CAS: 126429-21-8
Standard-SMILES: C=CCOP(OCC=C)N(C(C)C)C(C)C
InChIKey: QBLCHHSGJTUNSJ-UHFFFAOYSA-N
Summenformel: C12H24NO2P
Durchschnittliche Molmasse: 245,3 g/mol
Monoisotopische Masse: 245,15446564

Namen und Bezeichner

Bevorzugter Name: Diallyl diisopropylphosphoramidite
IUPAC: N-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amine
Englischer Name: DIALLYL N,N-DIISOPROPYLPHOSPHORAMIDITE
Summenformel: C12H24NO2P
Molmasse: 245.3

Namen und Synonyme

diallyl diisopropylphosphoramiditeRefChem:586169625-730-2126429-21-8Diallyl N,N-diisopropylphosphoramiditeN-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amineMFCD00216647Phosphoramidous acid, N,N-bis(1-methylethyl)-, di-2-propen-1-yl esterSCHEMBL386395DIALLYLN,N-DIISOPROPYLPHOSPHORAMIDITEDTXSID20405573AKOS015895011

Weitere Namen anzeigen

Diallyloxy(diisopropylamino)phosphineHexadiene N, N-diisopropylphosphoramidedienepropyldisopropylisophosphorusamidebis(allyloxy)-(diisopropylamino)-phosphineN,N-Bis(1-methylethyl)phosphoramidous acid di-2-propenyl ester

di-allyl-N,N-diisopropylphosphoramiditeDiallyl N,N-di isopropyl phosphoramiditebis(allyloxy)(diisopropylamino)phosphine[bis(prop-2-en-1-yloxy)phosphanyl]bis(propan-2-yl)aminePhosphoramidous acid, bis(1-methylethyl)-, di-2-propenyl esterFT-0756764diallyldiisopropylphosphoramiditeC12H24NO2P

Datenbank-Bezeichner

CAS: 126429-21-8
PubChem CID: 4686855
DTXSID: DTXSID20405573
EC Number: 625-730-2
Nikkaji: J1.108.929A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 9
Schwere Atome: 16
Formalladung: 0
Komplexität: 187

Physikochemische Eigenschaften

Siedepunkt: 130 °C · 130 °C(lit.)
Dichte: 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.456(lit.)
Flammpunkt: 90 °F · 90 °F
storage temp.: 2 · 2-8°C
pka: 4.96 · 4.96±0.70(Predicted)
Aggregatzustand: liquid
BRN: 4383514 · 4383514
InChI: InChI=1S/C12H24NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKey: QBLCHHSGJTUNSJ-UHFFFAOYSA-N
SMILES: P(N(C(C)C)C(C)C)(OCC=C)OCC=C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 1-10
wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDiallyl N,N-diisopropylphosphoramidite is a reagent used in the synthesis of Leustroducsin B that exhibits large variety of biological activities. It also acts as a reagent in the synthesis of water-soluble prodrugs of triazole CS-758 with antifungal activities.