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Phosphoramidous acid,N,N-diethyl-, bis(1,1-dimethylethyl) ester (117924-33-1)

Identification
Name:Phosphoramidous acid,N,N-diethyl-, bis(1,1-dimethylethyl) ester
Synonyms:Phosphoramidousacid, diethyl-, bis(1,1-dimethylethyl) ester (9CI); Di-tert-butyl N,N-diethylphosphoramidite;Di-tert-butyl diethylphosphoramidite
CAS:117924-33-1
Molecular Formula: C12H28NO2P
Molecular Weight: 249.33
InChI: InChI=1/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3
Molecular Structure: (C12H28NO2P) Phosphoramidousacid, diethyl-, bis(1,1-dimethylethyl) ester (9CI); Di-tert-butyl N,N-diethylphosphor...
Properties
Density:0.896
Refractive index:1.434
Appearance:Slightly Hazy to Hazy Colorless Liquid
Specification:

The cas register number of Di-tert-butyl N,N-diethylphosphoramidite is 117924-33-1. It also can be called as phosphoramidous acid, N,N-diethyl-, bis(1,1-dimethylethyl) ester and the Systematic name about this chemical is N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine. It is used as the efficient phosphorylative conversion of alcohols into their corresponding dibenzylphosphorotriesters

Physical properties about Di-tert-butyl N,N-diethylphosphoramidite are: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3585.5; (6)ACD/BCF (pH 7.4): 3873.86; (7)ACD/KOC (pH 5.5): 11919.74; (8)ACD/KOC (pH 7.4): 12878.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.29Å2; (13)Flash Point: 78.3 °C; (14)Enthalpy of Vaporization: 45.84 kJ/mol; (15)Boiling Point: 222 °C at 760 mmHg; (16)Vapour Pressure: 0.104 mmHg at 25°C.

Uses of Di-tert-butyl N,N-diethylphosphoramidite: It reacts with 7-diethylamino-4-hydroxymethyl-chromen-2-one to get phosphoric acid di-tert-butyl ester 7-diethylamino-2-oxo-2H-chromen-4-ylmethyl ester. This reaction needs solvent tetrahydrofuran at temperature of -20 - 20//20 °C. The reaction time is 4 hours. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O(P(OC(C)(C)C)N(CC)CC)C(C)(C)C
2.InChI: InChI=1/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3 
3.InChIKey: KUKSUQKELVOKBH-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3

Storage Temperature: 2-8°C
Sensitive: Moisture Sensitive
Usage:A useful reagent for the efficient phosphorylative conversion of alcohols into their corresponding dibenzylphosphorotriesters
Safety Data
Hazard Symbols Xi:Irritant
 

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