Hexaethyl phosphorous triamide

• CAS: 2283-11-6
• Catalog Number: ACM2283116-2
• Category: Organic Phosphine Compounds
• Molecular Weight: 247.36
• Molecular Formula: C12H30N3P
• Synonyms: Tris(N,N-Diethylamino)Phosphine; Hexaethylphosphorotriamidite Phosphorous Acid
• IUPAC Name: N-[bis(diethylamino)phosphanyl]-N-ethylethanamine
• Canonical SMILES: CCN(CC)P(N(CC)CC)N(CC)CC
• InChI: FDIOSTIIZGWENY-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3
• Boiling Point: 80-90 °C at 10 mmHg(lit.)
• Melting Point: 230-232 °C
• Flash Point: 58 °C
• Density: 0.903 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Application: suzuki reaction
• Storage: Store below +30°C.
• Complexity: 126
• Covalently-Bonded Unit Count: 1
• EC Number: 218-920-8
• Exact Mass: 247.218g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 16
• Isomeric SMILES: CCN(CC)P(N(CC)CC)N(CC)CC
• Monoisotopic Mass: 247.218g/mol
• pKa: 9.74±0.70(Predicted
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 9.7A^2

Custom Q&A

What is the molecular formula of Hexaethyl phosphorous triamide?

The molecular formula of Hexaethyl phosphorous triamide is C12H30N3P.

What is the molecular weight of Hexaethyl phosphorous triamide?

The molecular weight of Hexaethyl phosphorous triamide is 247.36 g/mol.

What are the synonyms for Hexaethyl phosphorous triamide?

Some synonyms for Hexaethyl phosphorous triamide are Tris(diethylamino)phosphine, Hexaethylphosphorous triamide, N,N,N',N',N'',N''-Hexaethylphosphinetriamine.

What is the IUPAC name of Hexaethyl phosphorous triamide?

The IUPAC name of Hexaethyl phosphorous triamide is N-[bis(diethylamino)phosphanyl]-N-ethylethanamine.

What is the InChI for Hexaethyl phosphorous triamide?

The InChI for Hexaethyl phosphorous triamide is InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3.

What is the InChIKey for Hexaethyl phosphorous triamide?

The InChIKey for Hexaethyl phosphorous triamide is FDIOSTIIZGWENY-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does Hexaethyl phosphorous triamide have?

Hexaethyl phosphorous triamide has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of Hexaethyl phosphorous triamide?

The topological polar surface area of Hexaethyl phosphorous triamide is 9.7Ų.

How many rotatable bond counts does Hexaethyl phosphorous triamide have?

Hexaethyl phosphorous triamide has 9 rotatable bond counts.

What is the XLogP3-AA value of Hexaethyl phosphorous triamide?

The XLogP3-AA value of Hexaethyl phosphorous triamide is 2.8.

Synthetic Use

Upstream Synthesis Route 1

• 109-89-7

• 2283-11-6

Reference: [1]Bencivenni, Giorgio; Cesari, Riccardo; Nanni, Daniele; El Mkami, Hassane; Walton, John C.
[Organic and Biomolecular Chemistry, 2010, vol. 8, # 22, p. 5097 - 5104]

Downstream Synthesis Route 1

• 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

Downstream Synthesis Route 2

• 1735-84-8
• 2283-11-6

• 2879-42-7

Reference: [1] Russian Chemical Bulletin, 1997, vol. 46, # 8, p. 1434 - 1436

Downstream Synthesis Route 3

• 75-77-4
• 75-63-8
• 2283-11-6

• 81290-20-2
• 89217-83-4

Reference: [1] Tetrahedron Letters, 1984, vol. 25, # 21, p. 2195 - 2198

Downstream Synthesis Route 4

• 2283-11-6

• 2622-07-3

Reference: [1]Stuebe; Lankelma
[Journal of the American Chemical Society, 1956, vol. 78, p. 976]

Downstream Synthesis Route 5

• 2283-11-6

• 4154-77-2

Reference: [1]Kamalov, R. M.; Stepanov, G. S.; Ryzhikov, D. V.; Pudovik, M. A.; Pudovik, A. N.
[Journal of general chemistry of the USSR, 1991, vol. 61, # 8, p. 1614 - 1619][Zhurnal Obshchei Khimii, 1991, vol. 61, # 8, p. 1754 - 1760]

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