Tri(m-tolyl)phosphine

• CAS: 6224-63-1
• Catalog Number: ACM6224631
• Category: Organic Phosphine Compounds
• Molecular Weight: 304.373g/mol
• Molecular Formula: C21H21P
• Synonyms: ACMC-1BFDA; PubChem6426; C-18972; Tris(3-methylphenyl)phosphine; MFCD00008532 (97%); LFNXCUNDYSYVJY-UHFFFAOYSA-N; SC-67331; RTR-021393; GC10062; RL04363
• IUPAC Name: tris(3-methylphenyl)phosphane
• Canonical SMILES: CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C
• InChI: InChI=1S/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
• InChI Key: LFNXCUNDYSYVJY-UHFFFAOYSA-N
• Application: suzuki reaction
• Complexity: 287
• Covalently-Bonded Unit Count: 1
• EC Number: 228-312-4
• Exact Mass: 304.138g/mol
• Heavy Atom Count: 22
• Monoisotopic Mass: 304.138g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 80362?

The IUPAC name of the compound is tris(3-methylphenyl)phosphane.

What is the molecular formula of the compound with PubChem CID 80362?

The molecular formula is C21H21P.

What is the molecular weight of the compound with PubChem CID 80362?

The molecular weight is 304.4 g/mol.

What is the Canonical SMILES of the compound with PubChem CID 80362?

The Canonical SMILES is CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C.

What is the InChIKey of the compound with PubChem CID 80362?

The InChIKey is LFNXCUNDYSYVJY-UHFFFAOYSA-N.

What is the CAS number of the compound with PubChem CID 80362?

The CAS number is 6224-63-1.

How many rotatable bond counts does the compound with PubChem CID 80362 have?

The compound has 3 rotatable bond counts.

What is the exact mass of the compound with PubChem CID 80362?

The exact mass is 304.138087668 g/mol.

Is the compound with PubChem CID 80362 canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of the compound with PubChem CID 80362?

The topological polar surface area is 0Ų.

Synthetic Use

Upstream Synthesis Route 1

• 6151-88-8

• 6224-63-1

Reference: [1] Synthesis, 2011, # 24, p. 4091 - 4098
[2] Tetrahedron Letters, 2015, vol. 56, # 7, p. 918 - 920
[3] Tetrahedron, 2011, vol. 67, # 32, p. 5825 - 5831

Upstream Synthesis Route 2

• 28987-79-3

• 6224-63-1

Reference: [1] Journal of the American Chemical Society, 1985, vol. 107, # 7, p. 2033 - 2046
[2] Journal of the Chemical Society, 1937, p. 527,530

Upstream Synthesis Route 3

• 373623-33-7

• 6224-63-1

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

Downstream Synthesis Route 1

• 35679-07-3
• 6224-63-1

• 125918-94-7

Reference: [1]Inoue, Hidenari; Kuroiwa, Takeshi; Shirai, Tsuneo; Fluck, Ekkehard
[Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 6, p. 641 - 646]

Downstream Synthesis Route 2

• 20094-24-0
• 6224-63-1

• 119821-85-1

Reference: [1]Polyhedron,1989,vol. 8,p. 167 - 174

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