Tris(2-methoxyphenyl)phosphine

• CAS: 4731-65-1
• Catalog Number: ACM4731651-2
• Category: Other Phosphine Ligands
• Molecular Weight: 352.36
• Molecular Formula: C21H21O3P
• Synonyms: Tris(O-anisyl)phosphine; Tris(O-Methoxyphenyl)phosphine
• IUPAC Name: Tris(2-methoxyphenyl)phosphane
• SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
• InChI: InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
• InChI Key: IIOSDXGZLBPOHD-UHFFFAOYSA-N
• Boiling Point: 477.3±40.0°C (Predicted)
• Melting Point: 204-208°C
• Appearance: Solid
• Application: suzuki reaction
• Complexity: 334
• Covalently-Bonded Unit Count: 1
• EC Number: 225-235-8
• Exact Mass: 352.123g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 25
• Isomeric SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
• Monoisotopic Mass: 352.123g/mol
• NSC Number: 93545
• Physical State: Solid
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 27.7A^2

Custom Q&A

What is the molecular formula of tris(2-methoxyphenyl)phosphine?

The molecular formula is C21H21O3P.

When was tris(2-methoxyphenyl)phosphine created and modified?

It was created on 2005-03-26 and modified on 2023-12-30.

What is the molecular weight of tris(2-methoxyphenyl)phosphine?

The molecular weight is 352.4 g/mol.

What is the IUPAC name of tris(2-methoxyphenyl)phosphine?

The IUPAC name is tris(2-methoxyphenyl)phosphane.

What is the InChIKey of tris(2-methoxyphenyl)phosphine?

The InChIKey is IIOSDXGZLBPOHD-UHFFFAOYSA-N.

How many hydrogen bond acceptors does tris(2-methoxyphenyl)phosphine have?

It has 3 hydrogen bond acceptors.

What is the XLogP3-AA value of tris(2-methoxyphenyl)phosphine?

The XLogP3-AA value is 4.5.

What is the exact mass of tris(2-methoxyphenyl)phosphine?

The exact mass is 352.12283153 g/mol.

How many rotatable bond counts does tris(2-methoxyphenyl)phosphine have?

It has 6 rotatable bond counts.

How many defined atom stereocenter counts does tris(2-methoxyphenyl)phosphine have?

It has 0 defined atom stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 578-57-4

• 4731-65-1

Reference: [1] Journal of the American Chemical Society, 1975, vol. 97, # 7, p. 1787 - 1794
[2] Dalton Transactions, 2012, vol. 41, # 15, p. 4552 - 4557
[3] Patent: US8309779, 2012, B2, . Location in patent: Page/Page column 18

Upstream Synthesis Route 2

• 578-57-4

• 4731-65-1

Reference: [1] Patent: US5663426, 1997, A,

Downstream Synthesis Route 1

• 4731-65-1
• 96-99-1

• 14719-83-6

Reference: [1] Organometallics, 2016, vol. 35, # 19, p. 3406 - 3412

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