Tris(2,6-dimethoxyphenyl)phosphine

• CAS: 85417-41-0
• Catalog Number: ACM85417410-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 442.44
• Molecular Formula: C24H27O6P
• Synonyms: DMPP; TDMPP
• IUPAC Name: tris(2,6-dimethoxyphenyl)phosphane
• Canonical SMILES: COC1=C(C(=CC=C1)OC)P(C2=C(C=CC=C2OC)OC)C3=C(C=CC=C3OC)OC
• InChI: CMLWFCUAXGSMBB-UHFFFAOYSA-N
• InChI Key: InChI=1S/C24H27O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h7-15H,1-6H3
• Boiling Point: 566.4±50.0 °C(Predicted)
• Melting Point: 145-147 °C(lit.)
• Appearance: Solid
• Complexity: 415
• Covalently-Bonded Unit Count: 1
• Exact Mass: 442.155g/mol
• H-Bond Acceptor: 6
• Heavy Atom Count: 31
• Isomeric SMILES: COC1=C(C(=CC=C1)OC)P(C2=C(C=CC=C2OC)OC)C3=C(C=CC=C3OC)OC
• Monoisotopic Mass: 442.155g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 55.4A^2

Custom Q&A

What is the molecular formula of Tris(2,6-dimethoxyphenyl)phosphine?

The molecular formula is C24H27O6P.

When was this compound created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC name of Tris(2,6-dimethoxyphenyl)phosphine?

The IUPAC name is tris(2,6-dimethoxyphenyl)phosphane.

What is the InChIKey of this compound?

The InChIKey is CMLWFCUAXGSMBB-UHFFFAOYSA-N.

How many hydrogen bond acceptors does Tris(2,6-dimethoxyphenyl)phosphine have?

It has 6 hydrogen bond acceptors.

What is the XLogP3-AA value of this compound?

The XLogP3-AA value is 4.4.

What is the exact mass of Tris(2,6-dimethoxyphenyl)phosphine?

The exact mass is 442.15452557 g/mol.

How many rotatable bond counts does this compound have?

It has 9 rotatable bond counts.

Is Tris(2,6-dimethoxyphenyl)phosphine compound canonicalized?

Yes, it is canonicalized.

What is the topological polar surface area of this compound?

The topological polar surface area is 55.4 Å2.

Synthetic Use

Upstream Synthesis Route 1

• 129972-84-5

• 85417-41-0

Reference: [1] Chemistry Letters, 1990, # 6, p. 867 - 870
[2] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 6, p. 1782 - 1786
[3] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 6, p. 1782 - 1786

Upstream Synthesis Route 2

• 123317-05-5

• 85417-41-0

Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 6, p. 1782 - 1786

Upstream Synthesis Route 3

• 129972-72-1

• 85417-41-0

Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 6, p. 1782 - 1786

Downstream Synthesis Route 1

• 75-21-8
• 85417-41-0

• 111277-46-4

Reference: [1]Wada, Masanoir; Tsuboi, Aki
[Journal of the Chemical Society. Perkin transactions I, 1987, p. 151 - 154]

Downstream Synthesis Route 2

• 558-30-5
• 85417-41-0

• 111277-32-8

Reference: [1]Wada, Masanoir; Tsuboi, Aki
[Journal of the Chemical Society. Perkin transactions I, 1987, p. 151 - 154]

Downstream Synthesis Route 3

• 106-88-7
• 85417-41-0

• 111277-42-0

Reference: [1]Wada, Masanoir; Tsuboi, Aki
[Journal of the Chemical Society. Perkin transactions I, 1987, p. 151 - 154]

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