Name: BIS(2-CYANOETHYL)-N,N-DIISOPROPYL PHOSPHORAMIDITE
SKU: 102690-88-0

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Basic Information

Molecular Structure:
CAS No.:	102690-88-0
Name:	BIS(2-CYANOETHYL)-N,N-DIISOPROPYL PHOSPHORAMIDITE
Article Data:	14

Formula:	C₁₂H₂₂N₃O₂P
Molecular Weight:	271.299
Synonyms:	Phosphoramidousacid, bis(1-methylethyl)-, bis(2-cyanoethyl) ester (9CI);Bis(2-cyanoethoxy)(diisopropylamino)phosphine;Bis(2-cyanoethoxy)-N, N-diisopropylaminophosphine;
EINECS:	802-449-5
Density:	1.039 g/mL at 25 °C
Boiling Point:	335.3 °C at 760 mmHg
Flash Point:	156.6 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
Safety:	26-36-37-39-45
PSA:	82.87000
LogP:	3.19266

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Specification

The Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester, with the CAS registry number 102690-88-0, is also known as Bis(2-cyanoethoxy)-N, N-diisopropylaminophosphine. It belongs to the product categories of Phospholipids - 13C & 2H; Phosphorylating and Phosphitylating Agents. This chemical's molecular formula is C₁₂H₂₂N₃O₂P and molecular weight is 271.3. What's more, its systematic name is Bis(2-cyanoethyl) bis(1-methylethyl)amidophosphite. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.97; (6)ACD/BCF (pH 7.4): 51.17; (7)ACD/KOC (pH 5.5): 579.68; (8)ACD/KOC (pH 7.4): 582.03; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.87 Å²; (13)Flash Point: 156.6 °C; (14)Enthalpy of Vaporization: 57.84 kJ/mol; (15)Boiling Point: 335.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000121 mmHg at 25 °C.

Preparation of Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester: this chemical is prepared by reaction of 3-Hydroxy-propionitrile with 2-Cyanoethyl-bis(N, N-diisopropyl)amino phosphite at ambient temperature. The reaction needs reagent Tetrazole and solvent CH₂Cl₂. Besides, the reaction time is 1 hour.

The Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester can be obtained by 3-Hydroxy-propionitrile and 2-Cyanoethyl-bis(N, N-diisopropyl)amino phosphite

Uses of Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester: it is used to produce other chemicals. For example, it is used to produce Bis(2-cyanoethyl) 2, 4-di-O-acetyl-3, 6-dideoxy-3-C-methylene-β-D-ribo-hexopyranosyl phosphate at ambient temperature. This reaction needs reagent 1H-Tetrazole. Meanwhile, it needs solvents CH₂Cl₂ and Acetonitrile. The reaction time is 20 minutes and the yield is about 86 %.

The Phosphoramidous acid, N, N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester can be used to produce Bis(2-cyanoethyl) 2, 4-di-O-acetyl-3, 6-dideoxy-3-C-methylene-β-D-ribo-hexopyranosyl phosphate

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCOP(OCCC#N)N(C(C)C)C(C)C
(2) InChI: InChI=1/C12H22N3O2P/c1-11(2)15(12(3)4)18(16-9-5-7-13)17-10-6-8-14/h11-12H,5-6,9-10H2,1-4H3
(3) InChIKey: LDHWBEHZLFDXCU-UHFFFAOYAH