Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonate

HCID 2773719CAS 124931-12-0

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Grundinformationen

Standard-SMILES: CCOP(=O)(CC(=O)N(C)OC)OCC
InChIKey: WYLRYBDGIILFIR-UHFFFAOYSA-N
Summenformel: C8H18NO5P
Durchschnittliche Molmasse: 239,21 g/mol
Monoisotopische Masse: 239,09225931

Namen und Bezeichner

Bevorzugter Name: Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonate
IUPAC: 2-diethoxyphosphoryl-N-methoxy-N-methylacetamide
Englischer Name: DIETHYL (N-METHOXY-N-METHYLCARBAMOYLMETHYL)PHOSPHONATE
Summenformel: C8H18NO5P
Molmasse: 239.21

Namen und Synonyme

Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonateRefChem:587034626-937-0124931-12-0Diethyl (2-(methoxy(methyl)amino)-2-oxoethyl)phosphonate2-diethoxyphosphoryl-N-methoxy-N-methylacetamideMFCD00134233diethyl {[methoxy(methyl)carbamoyl]methyl}phosphonateDiethyl(N-methoxy-N-methylcarbamoylmethyl)phosphonateDTXSID703786672-diethoxyphosphoryl-N-methoxy-N-methyl-acetamideSBB057815

Weitere Namen anzeigen

Diethyl (2-(methoxy(methyl)N-Methoxy-N-methyl-diethylphosphoacetamideDIETHYL N-METHOXY-N-METHYLPHOSPHONOACETAMIDEN-Methoxy-N-methyl-2-(diethyl phosphono)acetamideDiethylphosphonoacetic acid N-methyl-N-methoxyamidediethyl (N-ethoxy-N-methylcarbamoylmethyl)phosphonate

N-methoxy-N-methyl diethylphosphonoacetamideD3708N-methoxy-N-methyl diethylphosphonoacetarnide2-(diethoxycarbonyl)-N-methoxy-N-methylacetamidediethyl {2-[methoxy(methyl)amino]-2-oxoethyl}phosphonateDiethyl [2-[Methoxy(methyl)amino]-2-oxoethyl]phosphonatediethyl (n-methoxy-n-methylcarbamoyl-methyl)phosphonateN-Methoxy-N-methyl-phosphonoacetamide diethyl ester

Datenbank-Bezeichner

CAS: 124931-12-0
PubChem CID: 2773719
DTXSID: DTXSID70378667
EC Number: 626-937-0
Nikkaji: J860.320K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 65,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 15
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Siedepunkt: 90 °C17 · 90 °C17 mm Hg(lit.)
Dichte: 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.455(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Store at room temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 1875865 · 1875865
InChI: 1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-8(10)9(3)12-4/h5-7H2,1-4H3
InChIKey: WYLRYBDGIILFIR-UHFFFAOYSA-N
SMILES: CCOP(=O)(CC(=O)N(C)OC)OCC
CAS Datenbank: 124931 · 124931-12-0

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Preparation of ring-expanded bryostatin analogs as antitumor agentsAsymmertic synthesis of pinnatoxins A and G via diastereoselective Ireland-Claisen rearrangement, ring closing metathesis, and cyclizationRh2(II)-catalyzed nitro-group migration reactionsStereoselective synthesis of cyclohexanones via phase transfer catalyzed double addition reactionsStereoselective synthesis of (+)-polyrhacitide A via aldol reaction, Horner-Wardsworth-Emmons reaction, Evans acetal intramolecular oxa-Michael reaction and diastereoselective syn reduction reaction as the key stepsPreparation of substituted furans via olefin cross-metathesis