HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate
Methyl 2-((tert-butoxycarbonyl)aMino)-2-(diMethoxyphosphoryl)acetate · N-Boc-2-Phosphonoglycine trimethyl ester · N-BUTOXYCARBONYL TRIMETHYLPHOSPHONOGLYCINE · N-(tert-Butoxycarbonyl)-phosphonoglycinetrimethylester · SW-36 · SWF-36 · SKL264 · (+/-)-Boc-aL
Identifikatoren & physikalische Daten
| CAS No. | 89524-98-1 |
|---|---|
| Summenformel | C10H20NO7P |
| Durchschnittliche Molmasse | 297,24 g/mol |
| Monoisotopische Masse | 297,09773861 g/mol |
| SMILES | COC(=O)C(NC(=O)OC(C)(C)C)P(=O)(OC)OC |
| InChIKey | LJHAPRKTPAREGO-UHFFFAOYSA-N |
| PubChem CID | 397380 |
| ChEMBL | CHEMBL1982722 |
| EC No. | 629-296-5 |
| DTXSID | DTXSID50327936 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 100 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 369 |
| Schmelzpunkt | 67-71°C |
| Siedepunkt | 398.6±37.0 °C(Predicted) |
| Dichte | 1.204±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | 9.63±0.46(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to off-white |
| BRN | 4296364 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13) |
| InChIKey | LJHAPRKTPAREGO-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(P(OC)(OC)=O)NC(OC(C)(C)C)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (83.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (83.3%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
(+/-)-Boc-a-phosphonoglycine trimethyl ester is used as a Wittig-Horner reagent for preparing (Z)-Boc-protected dehydroamino acid derivatives.