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Di-tert-butyl N,N-diethylphosphoramidite

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Name

Di-tert-butyl N,N-diethylphosphoramidite

EINECS N/A
CAS No. 117924-33-1 Density 0.896 g/mL at 25 °C(lit.)
PSA 35.29000 LogP 4.18530
Solubility Hydrolyzes in water. Soluble in chloroform and methanol. Melting Point N/A
Formula C12H28NO2P Boiling Point 221.963 °C at 760 mmHg
Molecular Weight 249.334 Flash Point 78.333 °C
Transport Information N/A Appearance Clear colourless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 117924-33-1 (Di-tert-butyl N,N-diethylphosphoramidite) Hazard Symbols IrritantXi
Synonyms

Phosphoramidousacid, diethyl-, bis(1,1-dimethylethyl) ester (9CI);Di-tert-butyl diethylphosphoramidite;

Article Data 5

Di-tert-butyl N,N-diethylphosphoramidite 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

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