Tris(1-pyrrolidinyl)phosphine

• CAS: 5666-12-6
• Catalog Number: ACM5666126-2
• Category: Other Phosphine Ligands
• Molecular Weight: 241.31
• Molecular Formula: C12H24N3P
• Synonyms: Phosphorous acid tripyrrolidide; Tris(N,N-tetramethylene)phosphorous acid triamide; Tripyrrolidinophosphine
• IUPAC Name: Tripyrrolidin-1-ylphosphane
• SMILES: C1CCN(C1)P(N2CCCC2)N3CCCC3
• InChI: InChI=1S/C12H24N3P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
• InChI Key: PXFLCAQHOZXYED-UHFFFAOYSA-N
• Boiling Point: 104°C at 0.1 mmHg (lit.)
• Flash Point: >230°F
• Density: 1.049 g/mL at 25°C (lit.)
• Appearance: Liquid
• Complexity: 180
• Covalently-Bonded Unit Count: 1
• Exact Mass: 241.171g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 16
• Isomeric SMILES: C1CCN(C1)P(N2CCCC2)N3CCCC3
• Monoisotopic Mass: 241.171g/mol
• Physical State: Liquid
• pKa: 9.74±0.20 (Predicted)
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 9.7A^2

Custom Q&A

What is the chemical structure of Tris(1-pyrrolidinyl)phosphine?

The chemical structure of Tris(1-pyrrolidinyl)phosphine is C12H24N3P.

What is the CAS number for Tris(1-pyrrolidinyl)phosphine?

The CAS number for Tris(1-pyrrolidinyl)phosphine is 5666-12-6.

What are some computed properties of Tris(1-pyrrolidinyl)phosphine?

Computed properties include complexity, covalently-bonded unit count, atom stereocenter count, bond stereocenter count, formal charge, heavy atom count, hydrogen bond acceptor count, hydrogen bond donor count, isotope atom count, rotatable bond count, topological polar surface area, and logP3 value.

What is the molecular weight of Tris(1-pyrrolidinyl)phosphine?

The molecular weight of Tris(1-pyrrolidinyl)phosphine is 241.31g/mol.

What is the exact mass of Tris(1-pyrrolidinyl)phosphine?

The exact mass of Tris(1-pyrrolidinyl)phosphine is 241.17078478.

What is the IUPAC name of Tris(1-pyrrolidinyl)phosphine?

The IUPAC name of Tris(1-pyrrolidinyl)phosphine is tripyrrolidin-1-ylphosphane.

How many hydrogen bond acceptors does Tris(1-pyrrolidinyl)phosphine have?

Tris(1-pyrrolidinyl)phosphine has 3 hydrogen bond acceptors.

What are some synonyms for Tris(1-pyrrolidinyl)phosphine?

Some synonyms include Tri(pyrrolidin-1-yl)phosphine, Tripyrrolidin-1-ylphosphane, and Tris(N-pyrrolidinyl)phosphine.

What is the molecular formula of Tris(1-pyrrolidinyl)phosphine?

The molecular formula of Tris(1-pyrrolidinyl)phosphine is C12H24N3P.

What is the InChIKey for Tris(1-pyrrolidinyl)phosphine?

The InChIKey for Tris(1-pyrrolidinyl)phosphine is PXFLCAQHOZXYED-UHFFFAOYSA-N.

Synthetic Use

Upstream Synthesis Route 1

• 123-75-1

• 5666-12-6

Reference: [1] Journal of the American Chemical Society, 2003, vol. 125, # 4, p. 940 - 950
[2] European Journal of Organic Chemistry, 2013, # 9, p. 1811 - 1823
[3] Journal of Organic Chemistry, 1994, vol. 59, # 6, p. 1257 - 1263
[4] Journal of the American Chemical Society, 1995, vol. 117, # 29, p. 7696 - 7710
[5] Tetrahedron, 2011, vol. 67, # 30, p. 5382 - 5388

Upstream Synthesis Route 2

• 15097-49-1

• 5666-12-6

Reference: [1] Journal of Organic Chemistry, 1996, vol. 61, # 13, p. 4272 - 4281

Upstream Synthesis Route 3

• 123-75-1
• 2283-11-6

• 5666-12-6

Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 46, p. 5983 - 5986
[2] Tetrahedron Letters, 1988, vol. 29, # 46, p. 5983 - 5986

Upstream Synthesis Route 4

• 123-75-1
• 2283-11-6

• 5666-12-6

Reference: [1]Tetrahedron Letters,1988,vol. 29,p. 5983 - 5986
[2]Tetrahedron Letters,1988,vol. 29,p. 5983 - 5986

Upstream Synthesis Route 5

• 123-75-1

• 5666-12-6

Reference: [1]Journal of the American Chemical Society,2003,vol. 125,p. 940 - 950
[2]European Journal of Organic Chemistry,2013,p. 1811 - 1823
[3]Journal of Organic Chemistry,1994,vol. 59,p. 1257 - 1263
[4]Journal of the American Chemical Society,1995,vol. 117,p. 7696 - 7710
[5]Tetrahedron,2011,vol. 67,p. 5382 - 5388

Downstream Synthesis Route 1

• 5666-12-6
• 68892-41-1

• 1055040-37-3

Reference: [1]Tetrahedron,1991,vol. 47,p. 2377 - 2388

* For details of the synthesis route, please refer to the original source to ensure accuracy.