Diphosphorsäuretetrakis-(phenylmethyl)ester

Tetrabenzyl pyrophosphate Struktur
990-91-0
CAS-Nr.
990-91-0
Bezeichnung:
Diphosphorsäuretetrakis-(phenylmethyl)ester
Englisch Name:
Tetrabenzyl pyrophosphate
Synonyma:
PYROPHOSPHORIC ACID TETRABENZYL ESTER;TETRABENZYL DIPHOSPHATE;C2gH2gO7P2;TetrabenzyL;Bis(phenylmethox;Benzyl Pyrophosphate;Tetracyl pyrophosphate;Tetrabenzyl yrophosphate;Fosaprepitant Impurity S;Tetrabenzyl Pyrophosphte
CBNumber:
CB9300303
Summenformel:
C28H28O7P2
Molgewicht:
538.47
MOL-Datei:
990-91-0.mol

Diphosphorsäuretetrakis-(phenylmethyl)ester Eigenschaften

Schmelzpunkt:
63-66 °C (lit.)
Siedepunkt:
601.6±55.0 °C(Predicted)
Dichte
1.289±0.06 g/cm3(Predicted)
Dampfdruck
0.001Pa at 140℃
storage temp. 
-20°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Powder or Crystalline Powder
Farbe
White to off-white
Wasserlöslichkeit
Slightly soluble in water.
Sensitive 
Moisture Sensitive
BRN 
2068292
InChI
InChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
NSBNXCZCLRBQTA-UHFFFAOYSA-N
SMILES
P(=O)(OCC1C=CC=CC=1)(OCC1C=CC=CC=1)OP(=O)(OCC1C=CC=CC=1)OCC1C=CC=CC=1
CAS Datenbank
990-91-0(CAS DataBase Reference)
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
Kennzeichnung gefährlicher C
R-Sätze: 34
S-Sätze: 26-36/37/39-45
RIDADR  UN 3261 8/PG 2
WGK Germany  3
10-21
HazardClass  8
PackingGroup  II
HS Code  29209090
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H314 Verursacht schwere Verätzungen der Haut und schwere Augenschäden. Ätzwirkung auf die Haut Kategorie 1B Achtung GHS hazard pictogramssrc="/GHS05.jpg" width="20" height="20" /> P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
Sicherheit
P260 Dampf/Aerosol/Nebel nicht einatmen.
P280 Schutzhandschuhe/Schutzkleidung/Augenschutz tragen.
P303+P361+P353 BEI BERÜHRUNG MIT DER HAUT (oder dem Haar): Alle kontaminierten Kleidungsstücke sofort ausziehen. Haut mit Wasser abwaschen oder duschen.
P305+P351+P338 BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach Möglichkeit entfernen. Weiter spülen.
P363 Kontaminierte Kleidung vor erneutem Tragen waschen.

Diphosphorsäuretetrakis-(phenylmethyl)ester Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:

R34:Verursacht Verätzungen.

S-Sätze Betriebsanweisung:

S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).

Chemische Eigenschaften

White Solid

Verwenden

Tetrabenzyl pyrophosphate is used in the preparation of phosphoryl derivatives of shikimic acid in the presence of LDA. It is used in the preparation of dibenzyl phosphoro fluoridate in the presence of cesium fluoride as a catalyst. It is also used as a precursor in pharmaceuticals and involved in the phosphorylation of inositol derivatives.

synthetische

The production of tetrabenzyl pyrophosphate by the action of acyl chlorides on dibenzyl hydrogen phosphate, and a novel reaction of tetraphenyl pyrophosphate.
Preparation of Tetrabenzyl Pyrophosphate: A flask fitted with a nitrogen inlet, overhead stirrer, teflon-coated thermocouple probe, and pressure-equalizing addition funnel was charged with 350 milliliters of dry (water content ≦50 μg/mL), peroxide-free tetrahydrofuran, followed by 50.0 grams (174 millimoles) of dibenzylphosphoric acid (DBP), and the resulting mixture was stirred until the solid dissolved (about 10-15 minutes). A solution of 18.9 grams (91.6 millimoles) of dicyclohexylcarbodiimide (DCC) in 215 milliliters of THF was added from the addition funnel to a stirred, cooled (water-bath) solution of DBP at a rate to maintain the temperature at about 20°-25° C. The reaction is slightly exothermic and the addition took about 30 minutes. Within minutes, a precipitate of dicyclohexylurea formed in the mixture. Stirring was continued for about 2 hours at 20°-25° C. The reaction was monitored by HPLC assay using VYDAC C-18 (300A, 4.6×250 mm) column with water (0.02M KH2PO4) acetonitrile as eluent. The reaction was complete in about 1 hour (assay showing <2 percent unreacted DBP). The mixture was then filtered while excluding moisture to remove dicyclohexylurea. The filter cake was washed with two 25 milliliter portions of THF. The solution when assayed by HPLC showed 45.9 grams (98 percent) yield of tetrabenzyl pyrophosphate (TBPP) in 620 milliliters of THF (0.137M). The filtrate was then stored at 0° C. with exclusion of moisture until the next step.

Diphosphorsäuretetrakis-(phenylmethyl)ester Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


Diphosphorsäuretetrakis-(phenylmethyl)ester Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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990-91-0(Diphosphorsäuretetrakis-(phenylmethyl)ester)Verwandte Suche:


  • TETRABENZYL PYROPHOSPHATE
  • Tetrabenzyl pyrophosphate, tech.
  • Pyrophosphoric acid tetrabenzyl ester, Tetrabenzyl diphosphate
  • Bis(phenylmethoxy)phosphoryl bis(phenylmethyl) phosphate
  • Benzyl Pyrophosphate
  • Diphosphoric Acid P,P,P',P'-Tetrakis(phenylMethyl) Ester
  • Tetrabenzyl yrophosphate
  • Tetrabenzyl pyrophosphate Pyrophosphoric acid tetrabenzyl ester
  • Tetrabenzyl pyrophosphate 98%
  • dibenzyl {[bis(benzyloxy)phosphoryl]oxy}phosphonate
  • Bis(phenylmethox
  • yrophosphoric acid tetrabenzyl ester
  • TetrabenzylPyrophosphate>
  • Tetrabenzyl pyrophosphate, 99%, for synthesis
  • TetrabenzyL
  • Tetrabenzylpyrophosphate (TBPP)
  • TETRABENZYL PYROPHOSPHATE 990-91-0
  • Creatine Phosphate Impurity 21(Tetrabenzyl Diphosphate)
  • Fosaprepitant Impurity S
  • Tetrabenzyl Pyrpophosphate
  • dibenzyl bis(phenylmethoxy)phosphoryl phosphate
  • PYROPHOSPHORIC ACID TETRABENZYL ESTER
  • TETRABENZYL DIPHOSPHATE
  • Tetracyl pyrophosphate
  • P,P,P',P'-Tetrakis(phenylmethyl) (diphosphate)
  • Tetrabenzyl Pyrophosphte
  • C2gH2gO7P2
  • 990-91-0
  • C28H28O7P2
  • C6H5CH2O2POOPOOCH2C6H52
  • Building Blocks
  • Organic Phosphates/Phosphites
  • Phosphorus Compounds
  • Organic Building Blocks
  • DNA / RNA Synthesis
  • Phosphorylation
  • Phosphorylating Agents
  • Phosphorylating and Phosphitylating Agents
  • Biochemistry
  • Nucleosides, Nucleotides & Related Reagents
  • Phosphorylating and Phosphorothioating Agents
  • Phosphorylation
  • Protecting Agents, Phosphorylating Agents & Condensing Agents
  • Synthetic Organic Chemistry
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