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| CAS No.: | 990-91-0 |
|---|---|
| Name: | Tetrabenzyl pyrophosphate |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C28H28O7P2 |
| Molecular Weight: | 538.474 |
| Synonyms: | Benzylpyrophosphate ([(C7H7O)2PO]2O) (7CI);Diphosphoric acid, tetrakis(phenylmethyl)ester (9CI);Pyrophosphoric acid, tetrabenzyl ester (8CI);Tetrabenzyldiphosphate;Tetrabenzyl pyrophosphate;Tetrabenzylpyrophosphate; |
| EINECS: | 628-817-3 |
| Density: | 1.289 g/cm3 |
| Melting Point: | 63-66 °C(lit.) |
| Boiling Point: | 601.6 °C at 760 mmHg |
| Flash Point: | 330.4 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 99.91000 |
| LogP: | 8.08640 |
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| Conditions | Yield |
|---|---|
| With dicyclohexyl-carbodiimide In Isopropyl acetate at 0 - 6℃; for 1.5h; Inert atmosphere; | 96% |
| With N,N-dicyclohexylurea In toluene at 20℃; for 5h; | 95% |
| With dicyclohexyl-carbodiimide In Isopropyl acetate at 3℃; for 0.916667 - 1.08333h; | 91% |
- 17176-77-1
Dibenzyl phosphite
- 990-91-0
dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine; copper(ll) bromide In tetrahydrofuran at 25℃; for 15h; | 90% |
| With tetrachloromethane; N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In toluene at 60℃; for 0.5h; | 88% |
| With N-chloro-succinimide; benzene anschliessendes Behandeln mit Phosphorsaeure-dibenzylester und Triaethylamin; |
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1.3-butanediol
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tribenzyl phosphite
A
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dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
B
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dibenzyl hydrogen phosphite
C
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3-(dibenzyl)phosphoryloxy-1-methyl-1-propanol
| Conditions | Yield |
|---|---|
| Stage #1: tribenzyl phosphite With iodine In dichloromethane at 0 - 20℃; for 0.416667h; Stage #2: 1.3-butanediol With pyridine In dichloromethane at 20℃; for 0.5h; | A n/a B n/a C 65% |
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pyridine
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phosphoric acid dibenzyl ester
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p-toluenesulfonyl chloride
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benzene
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dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
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pyridine
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phosphoric acid dibenzyl ester
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4-Nitrobenzenesulfonyl chloride
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benzene
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dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
- 56-23-5
tetrachloromethane
- 17176-77-1
Dibenzyl phosphite
- 990-91-0
dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
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Bromotrichloromethane
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Dibenzyl phosphite
- 990-91-0
dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 1623-08-1
phosphoric acid dibenzyl ester
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triethylamine
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acetonitrile
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trifluoroacetic anhydride
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dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
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tetrachloromethane
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Dibenzyl phosphite
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dibenzyl [[bis(benzyloxy)phosphoryl]oxy]phosphonate
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Specification
The CAS register number of Tetrabenzyl pyrophosphate is 990-91-0. It also can be called as Pyrophosphoric acid tetrabenzyl ester and the IUPAC name about this chemical is dibenzyl bis(phenylmethoxy)phosphoryl phosphate. It belongs to the following product categories, such as Biochemistry, Nucleosides, Nucleotides & Related Reagents, Phosphorylating and Phosphorothioating Agents, Phosphorylation, Protecting Agents, Phosphorylating Agents & Condensing Agents, Synthetic Organic Chemistry and so on.
Physical properties about Tetrabenzyl pyrophosphate are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.01; (4)ACD/LogD (pH 7.4): 6.01; (5)ACD/BCF (pH 5.5): 21756.89; (6)ACD/BCF (pH 7.4): 21756.89; (7)ACD/KOC (pH 5.5): 44303.46; (8)ACD/KOC (pH 7.4): 44303.46; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 99.91Å2; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 141 cm3; (14)Molar Volume: 417.4 cm3; (15)Polarizability: 55.89x10-24cm3; (16)Surface Tension: 52.2 dyne/cm; (17)Enthalpy of Vaporization: 86.23 kJ/mol; (18)Boiling Point: 601.6 °C at 760 mmHg; (19)Vapour Pressure: 8.62E-14 mmHg at 25°C.
Uses of Tetrabenzyl pyrophosphate: it can be used to produce dibenzyl phosphorofluoridate at Ambient temperature. This reaction will need reagent CsF and solvent acetonitrile. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical can causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCc1ccccc1)(OCc2ccccc2)OP(=O)(OCc3ccccc3)OCc4ccccc4
(2)InChI: InChI=1/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
(3)InChIKey: NSBNXCZCLRBQTA-UHFFFAOYAE
(4)Std. 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
(5)Std. InChIKey: NSBNXCZCLRBQTA-UHFFFAOYSA-N