Tris(4-methoxyphenyl)phosphine

• CAS: 855-38-9
• Catalog Number: ACM855389-2
• Category: Other Phosphine Ligands
• Molecular Weight: 352.36
• Molecular Formula: C21H21O3P
• Synonyms: Tri(P-Anisyl)Phosphine; Tris(P-Methoxyphenyl)phosphine
• IUPAC Name: Tris(4-methoxyphenyl)phosphane
• SMILES: COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
• InChI: InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
• InChI Key: UYUUAUOYLFIRJG-UHFFFAOYSA-N
• Boiling Point: 457.8±40.0°C (Predicted)
• Melting Point: 131-134°C (lit.)
• Appearance: Solid
• Application: suzuki reaction
• Complexity: 310
• Covalently-Bonded Unit Count: 1
• EC Number: 212-723-0
• Exact Mass: 352.123g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 25
• Isomeric SMILES: COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
• Monoisotopic Mass: 352.123g/mol
• NSC Number: 136458
• Physical State: Solid
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 27.7A^2

Custom Q&A

What is the molecular formula of tris(4-methoxyphenyl)phosphine?

The molecular formula of tris(4-methoxyphenyl)phosphine is C21H21O3P.

What is the molecular weight of tris(4-methoxyphenyl)phosphine?

The molecular weight of tris(4-methoxyphenyl)phosphine is 352.4 g/mol.

What are some synonyms for tris(4-methoxyphenyl)phosphine?

Some synonyms for tris(4-methoxyphenyl)phosphine include Trianisylphosphine and tris(4-methoxyphenyl)phosphane.

When was tris(4-methoxyphenyl)phosphine created and last modified?

Tris(4-methoxyphenyl)phosphine was created on March 26, 2005, and last modified on November 25, 2023.

What is the IUPAC name of tris(4-methoxyphenyl)phosphine?

The IUPAC name of tris(4-methoxyphenyl)phosphine is tris(4-methoxyphenyl)phosphane.

What is the InChIKey for tris(4-methoxyphenyl)phosphine?

The InChIKey for tris(4-methoxyphenyl)phosphine is UYUUAUOYLFIRJG-UHFFFAOYSA-N.

What is the Canonical SMILES representation of tris(4-methoxyphenyl)phosphine?

The Canonical SMILES representation of tris(4-methoxyphenyl)phosphine is COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.

What is the CAS number for tris(4-methoxyphenyl)phosphine?

The CAS number for tris(4-methoxyphenyl)phosphine is 855-38-9.

What is the XLogP3-AA value for tris(4-methoxyphenyl)phosphine?

The XLogP3-AA value for tris(4-methoxyphenyl)phosphine is 4.5.

How many hydrogen bond acceptor counts does tris(4-methoxyphenyl)phosphine have?

Tris(4-methoxyphenyl)phosphine has 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 803-17-8

• 855-38-9

Reference: [1] Synthesis, 2011, # 24, p. 4091 - 4098

Upstream Synthesis Route 2

• 104-92-7

• 855-38-9

Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 11, p. 3499 - 3508

Upstream Synthesis Route 3

• 82303-13-7

• 855-38-9

Reference: [1] Synlett, 2006, # 6, p. 954 - 956

Upstream Synthesis Route 4

• 104-92-7

• 855-38-9

Reference: [1]Whitaker, Craig M.; Kott, Kevin L.; McMahon, Robert J.
[Journal of Organic Chemistry, 1995, vol. 60, # 11, p. 3499 - 3508]

Downstream Synthesis Route 1

• 855-38-9

• 803-17-8

Reference: [1]Ding, Aishun; Li, Shijie; Chen, Yang; Jin, Ruiwen; Ye, Cong; Hu, Jianhua; Guo, Hao
[Tetrahedron Letters, 2018, vol. 59, # 43, p. 3880 - 3883]

Downstream Synthesis Route 2

• 855-38-9

• 84127-04-8

Reference: [1]Recueil des Travaux Chimiques des Pays-Bas,1991,vol. 110,p. 420 - 432

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