Name: Tris(pyrrolidinophosphine) oxide
SKU: 6415-07-2

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Basic Information

Molecular Structure:
CAS No.:	6415-07-2
Name:	Tris(pyrrolidinophosphine) oxide
Article Data:	7

Formula:	C₁₂H₂₄N₃OP
Molecular Weight:	257.316
Synonyms:	Phosphineoxide, tri-1-pyrrolidinyl- (7CI,8CI);NSC 270579;Phosphoric acidtripyrrolidide;Tripyrrolidinephosphoramide;Tripyrrolidinophosphine oxide;
EINECS:	229-118-2
Density:	1.19 g/cm³
Boiling Point:	389.9 °C at 760 mmHg
Flash Point:	189.6 °C
Safety:	23-24/25
PSA:	36.60000
LogP:	2.19560

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Specification

The IUPAC name of Tris(pyrrolidinophosphine) oxide is 1-dipyrrolidin-1-ylphosphorylpyrrolidine. With the CAS registry number 6415-07-2, it is also named as 1,1',1''-Phosphinylidynetrispyrrolidine. The product's EINECS is 229-118-2. Moreover, its molecular formula is C₁₂H₂₄N₃OP and molecular weight is 257.31. In addition, when you are using this chemical, please do not breathe vapour and avoid contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 19.97; (7)ACD/KOC (pH 5.5): 17.07; (8)ACD/KOC (pH 7.4): 274.32; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.6 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 69.86 cm³; (15)Molar Volume: 215.9 cm³; (16)Polarizability: 27.69×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 189.6 °C; (20)Enthalpy of Vaporization: 63.93 kJ/mol; (21)Boiling Point: 389.9 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-06 mmHg at 25 °C.

Preparation of Tris(pyrrolidinophosphine) oxide: this chemical can be prepared by Phosphorous acid tris-diethylamide and Pyrrolidine.

This reaction will occur at temperature of 70 °C. The reaction time is 10 hours. The yield is 88 %.

Uses of Tris(pyrrolidinophosphine) oxide: it can get C₁₂H₂₄FN₃P(1+)*ClO₃(1-).

This reaction needs perchloryl fluoride and hexane at temperature of 0-5 °C. The reaction time is 1 hour. The yield is 82 %.

People can use the following data to convert to the molecule structure.
SMILES:O=P(N1CCCC1)(N2CCCC2)N3CCCC3
InChI:InChI=1/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
InChIKey:GQOGEHIVQIMJMO-UHFFFAOYAE
Std. InChI:InChI=1S/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
Std. InChIKey:GQOGEHIVQIMJMO-UHFFFAOYSA-N