Methyldiethylphosphonoacetat

Methyl diethylphosphonoacetate

HCID 66113CAS 1067-74-9

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Grundinformationen

Standard-SMILES: CCOP(=O)(CC(=O)OC)OCC
InChIKey: CTSAXXHOGZNKJR-UHFFFAOYSA-N
Summenformel: C7H15O5P
Durchschnittliche Molmasse: 210,16 g/mol
Monoisotopische Masse: 210,06571021

Namen und Bezeichner

Bevorzugter Name: Methyl diethylphosphonoacetate
IUPAC: methyl 2-diethoxyphosphorylacetate
Lokaler Name: Methyldiethylphosphonoacetat
Englischer Name: Methyl diethylphosphonoacetate
Summenformel: C7H15O5P
Molmasse: 210.16

Namen und Synonyme

Methyl diethylphosphonoacetate1067-74-9Acetic acid, (diethoxyphosphinyl)-, methyl esterEINECS 213-938-2methyl (diethylphosphono)acetateNSC 147757DTXSID50147732RefChem:817722DTXCID6070223Diethyl methoxycarbonylmethanephosphonate213-938-2methyl 2-(diethoxyphosphoryl)acetate

Weitere Namen anzeigen

POMEdiethyl methoxycarbonylmethyl phosphonateAPAZ-027LABOTEST-BB LT00452673Mirogabalin Impurity 59Methyl 2-(diethoxyphosphoryl)

methyl 2-diethoxyphosphorylacetateC7H15O5PMethyl (diethoxyphosphoryl)acetateMFCD00009081DiethylmethylphosphonoacetateDiethylphosphonoacetic Acid Methyl Ester(Methoxycarbonylmethyl) diethoxyphosphine oxideMethyl P,P-diethylphosphonoacetate

Datenbank-Bezeichner

CAS: 1067-74-9
PubChem CID: 66113
DTXSID: DTXSID50147732
EC Number: 213-938-2
Nikkaji: J21.052H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 13
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Siedepunkt: 127 · 127-131 °C9 mm Hg(lit.)
Dichte: 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.433(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Miscible with tetrahydrofuran.
Aggregatzustand: Liquid
Farbe: Clear colorless to faint yellow
BRN: 1782397 · 1782397
InChI: InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3
InChIKey: CTSAXXHOGZNKJR-UHFFFAOYSA-N
SMILES: C(OC)(=O)CP(OCC)(OCC)=O
CAS Datenbank: 1067 · 1067-74-9(CAS DataBase Reference)
NIST chemische Informationen: Acetic acid, phosphono-, p,p-diethyl c-methyl ester(1067-74-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationDiethyl methoxycarbonylmethanephosphonate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29310095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl diethylphosphonoacetate is used as a reagent in the preparation of allylic fluorides compounds and in regioselective Diels-Alder reactions. It also serves as a reactant in the preparation of substituted thiophenes and furans, which finds application in type 2 diabetes treatment. Further, it acts as a precursor in the synthesis of pyridone alkaloids and immunosuppressive cyclopentanediol derivatives. In addition to this, it is utilized in the modification of botulinum neurotoxin serotype A protease inhibitors.