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108554-72-9

Basic Information
CAS No.: 108554-72-9
Name: Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 108554-72-9 (Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester)
Formula: C15H33N2OP
Molecular Weight: 288.414
Synonyms: Phosphorodiamidousacid, tetrakis(1-methylethyl)-, 2-propenyl ester (9CI);Allyloxybis(N,N-diisopropylamino)phosphine;
EINECS: N/A
Density: 0.903 g/mL at 25 °C(lit.)
Melting Point: N/A
Boiling Point: 317.8 °C at 760 mmHg
Flash Point: 146 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 29.30000
LogP: 4.65350
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Specification

This chemical is called Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester, and its systematic name is Prop-2-en-1-yl N,N,N',N'-tetrakis(1-methylethyl)diamidophosphite. With the molecular formula of C15H33N2OP, its molecular weight is 288.41. The CAS registry number of the chemical is 108554-72-9. 

Other characteristics of Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester can be summarised as followings: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 35.43; (6)ACD/BCF (pH 7.4): 1684.41; (7)ACD/KOC (pH 5.5): 109.01; (8)ACD/KOC (pH 7.4): 5182.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 29.3 Å2; (13)Flash Point: 146 °C; (14)Enthalpy of Vaporization: 55.93 kJ/mol; (15)Boiling Point: 317.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000375 mmHg at 25°C.

Production method of this chemical: The Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester could be obtained by the reactants of Diisopropylamine and Dichlorophosphoric acid allyl ester. This reaction needs solvent of Diethyl ether. The yield is 52 %. In addition, this reaction should be taken for 20 hours at the temperature of 25 °C.

The Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester could be obtained by the reactants of Diisopropylamine and Dichlorophosphoric acid allyl ester

Uses of this chemical: The Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester could react with Prop-2-en-1-ol to obtain the Bis(allyloxy)(diisopropylamino)phosphine. This reaction needs the reagent of Diisopropylammonium tetrazolide, and the solvent of CH2Cl2. The yield is 84 %. In addition, this reaction should be taken for 3 hours.

The Phosphorodiamidousacid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-propen-1-yl ester could react with Prop-2-en-1-ol to obtain the Bis(allyloxy)(diisopropylamino)phosphine

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O(P(N(C(C)C)C(C)C)N(C(C)C)C(C)C)C\C=C
2.InChI: InChI=1/C15H33N2OP/c1-10-11-18-19(16(12(2)3)13(4)5)17(14(6)7)15(8)9/h10,12-15H,1,11H2,2-9H3
3.InChIKey: ZTEGHJIXOZLSOH-UHFFFAOYAV
4.Std. InChI: InChI=1S/C15H33N2OP/c1-10-11-18-19(16(12(2)3)13(4)5)17(14(6)7)15(8)9/h10,12-15H,1,11H2,2-9H3
5.Std. InChIKey: ZTEGHJIXOZLSOH-UHFFFAOYSA-N