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| CAS No.: | 67746-43-4 |
|---|---|
| Name: | DIBENZYL DIETHYLPHOSPHORAMIDITE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C18H24NO2P |
| Molecular Weight: | 317.368 |
| Synonyms: | Phosphoramidousacid, diethyl-, bis(phenylmethyl) ester (9CI);Bis(benzyloxy)(diethylamino)phosphine;Dibenzyl (diethylamido)phosphite;Dibenzyl (diethylamino)phosphite;Dibenzyl N,N-diethylphosphoramidite;Dibenzyloxydiethylaminophosphine; |
| Density: | 1.06 g/mL at 25 °C(lit.) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 34 °C |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-37/39 |
| Transport Information: | UN 1993 |
| PSA: | 35.29000 |
| LogP: | 4.98870 |
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Specification
The IUPAC name of Dibenzyl N,N-diethylphosphoramidite is N-bis(phenylmethoxy)phosphanyl-N-ethylethanamine. With the CAS registry number 67746-43-4, it is also named as Dibenzyl N,N-diethylphosphoramidite. The product's categories are Phospholipids - 13C & 2H; Regant Series; Phosphorylating and Phosphitylating Agents. It is clear colourless liquid which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.12; (5)ACD/BCF (pH 5.5): 25593.84; (6)ACD/BCF (pH 7.4): 26412.45; (7)ACD/KOC (pH 5.5): 49316.44; (8)ACD/KOC (pH 7.4): 50893.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Enthalpy of Vaporization: 60.56 kJ/mol; (13)Vapour Pressure: 2.29E-05 mmHg at 25°C; (14)Rotatable Bond Count: 9; (15)Exact Mass: 317.154466; (16)MonoIsotopic Mass: 317.154466; (17)Topological Polar Surface Area: 21.7; (18)Heavy Atom Count: 22; (19)Complexity: 252.
Preparation of Dibenzyl N,N-diethylphosphoramidite: It can be obtained by phosphorous acid tris-diethylamide and phenylmethanol. This reaction needs atmosphere of dry argon at temperature of 110 °C and pressure of 500.0002. The reaction time is 2 hours. The yield is 71.7%.
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Uses of Dibenzyl N,N-diethylphosphoramidite: It can react with 3-(4-hydroxytetrahydro-2H-pyran-4-yl)toluene to get phosphorous acid dibenzyl ester 4-m-tolyl-tetrahydro-pyran-4-yl ester. This reaction needs reagent 1H-tetrazole and solvent tetrahydrofuran. The reaction time is 60 min. The yield is 85%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O(P(OCc1ccccc1)N(CC)CC)Cc2ccccc2
2. InChI:InChI=1/C18H24NO2P/c1-3-19(4-2)22(20-15-17-11-7-5-8-12-17)21-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
3. InChIKey:NLGUJOVLAXLSMX-UHFFFAOYAZ