Tetrabenzyl pyrophosphate
- CAS No.
- 990-91-0
- Chemical Name:
- Tetrabenzyl pyrophosphate
- Synonyms
- PYROPHOSPHORIC ACID TETRABENZYL ESTER;TETRABENZYL DIPHOSPHATE;C2gH2gO7P2;TetrabenzyL;Bis(phenylmethox;Benzyl Pyrophosphate;Tetracyl pyrophosphate;Tetrabenzyl yrophosphate;Fosaprepitant Impurity S;Tetrabenzyl Pyrophosphte
- CBNumber:
- CB9300303
- Molecular Formula:
- C28H28O7P2
- Molecular Weight:
- 538.47
- MOL File:
- 990-91-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/10/18 20:39:18
| Melting point | 63-66 °C (lit.) |
|---|---|
| Boiling point | 601.6±55.0 °C(Predicted) |
| Density | 1.289±0.06 g/cm3(Predicted) |
| vapor pressure | 0.001Pa at 140℃ |
| storage temp. | -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Powder or Crystalline Powder |
| color | White to off-white |
| Water Solubility | 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 DataBase Reference | 990-91-0(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS05 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H314 | |||||||||
| Precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | |||||||||
| Hazard Codes | C | |||||||||
| Risk Statements | 34 | |||||||||
| Safety Statements | 26-36/37/39-45 | |||||||||
| RIDADR | UN 3261 8/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-21 | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29209090 | |||||||||
| NFPA 704 |
|
Tetrabenzyl pyrophosphate price More Price(5)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 418633 | Tetrabenzyl pyrophosphate 98% | 990-91-0 | 1G | ₹11940 | 2022-06-14 | Buy |
| ALFA India | ALF-L09083-MD | Tetrabenzyl pyrophosphate, 98% | 990-91-0 | 250mg | ₹4420 | 2022-05-26 | Buy |
| ALFA India | ALF-L09083-06 | Tetrabenzyl pyrophosphate, 98% | 990-91-0 | 5g | ₹56357 | 2022-05-26 | Buy |
| ALFA India | ALF-L09083-03 | Tetrabenzyl pyrophosphate, 98% | 990-91-0 | 1g | ₹8756 | 2022-05-26 | Buy |
| TCI Chemicals (India) | P1223 | Tetrabenzyl Pyrophosphate | 990-91-0 | 1G | ₹9200 | 2022-05-26 | Buy |
Tetrabenzyl pyrophosphate Chemical Properties,Uses,Production
Chemical Properties
White Solid
Uses
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.
Preparation
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.
Tetrabenzyl pyrophosphate Preparation Products And Raw materials
Raw materials
Preparation Products
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