Tris(triphenylphosphine)rhodium(I) chloride

• CAS: 14694-95-2
• Catalog Number: ACM14694952-1
• Category: Rhodium series of catalysts
• Molecular Weight: 925.21
• Molecular Formula: C54H45ClP3Rh
• Synonyms: Chlorotris-(triphenylphosphino)-rhodium
• IUPAC Name: rhodium;triphenylphosphane;chloride
• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
• InChI: InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;1H;/p-1
• InChI Key: QBERHIJABFXGRZ-UHFFFAOYSA-M
• Melting Point: 245-250 °C
• Appearance: Magenta crystal
• Application: A homogeneous hydrogenation catalyst which operates under mild conditions.; ; Catalyst for the decarbonylation of aldehydes.; ; Catalyst for regio- and stereoselective allylic substitution reactions.; ; Alkyne hydro-phosphorylation; ; Heck-type reaction with α,β-unsaturated esters.; ; Alkyne arylation; ; Allylic alcohol-olefin coupling.; ; Terminal alkenes from ketones.; ; Rh-catalyzed isomerization of α-aryl propargyl alcohols to indanones.; ; Reductive deprotection of silyl groups.
• Storage: 2-8°C
• Complexity: 202
• Covalently-Bonded Unit Count: 5
• Defined Atom Stereocenter Count: 0
• EC Number: 238-744-5
• Exact Mass: 924.14776
• Formal Charge: -1
• H-Bond Acceptor: 1
• Heavy Atom Count: 59
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 924.14776
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 0 Ų
• UNII: 0FV534BKEV

Custom Q&A

What is the molecular formula of Tris(triphenylphosphine)rhodium(I) Chloride?

The molecular formula of Tris(triphenylphosphine)rhodium(I) Chloride is C54H45ClP3Rh.

What is the molecular weight of Tris(triphenylphosphine)rhodium(I) Chloride?

The molecular weight of Tris(triphenylphosphine)rhodium(I) Chloride is 925.2 g/mol.

What is the IUPAC name of Tris(triphenylphosphine)rhodium(I) Chloride?

The IUPAC name of Tris(triphenylphosphine)rhodium(I) Chloride is rhodium;triphenylphosphane;chloride.

What is the InChI of Tris(triphenylphosphine)rhodium(I) Chloride?

The InChI of Tris(triphenylphosphine)rhodium(I) Chloride is InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/p-1.

What is the InChIKey of Tris(triphenylphosphine)rhodium(I) Chloride?

The InChIKey of Tris(triphenylphosphine)rhodium(I) Chloride is QBERHIJABFXGRZ-UHFFFAOYSA-M.

What is the canonical SMILES of Tris(triphenylphosphine)rhodium(I) Chloride?

The canonical SMILES of Tris(triphenylphosphine)rhodium(I) Chloride is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh].

What is the CAS number of Tris(triphenylphosphine)rhodium(I) Chloride?

The CAS number of Tris(triphenylphosphine)rhodium(I) Chloride is 14694-95-2.

What is the hydrogen bond donor count of Tris(triphenylphosphine)rhodium(I) Chloride?

The hydrogen bond donor count of Tris(triphenylphosphine)rhodium(I) Chloride is 0.

What is the hydrogen bond acceptor count of Tris(triphenylphosphine)rhodium(I) Chloride?

The hydrogen bond acceptor count of Tris(triphenylphosphine)rhodium(I) Chloride is 1.

What is the rotatable bond count of Tris(triphenylphosphine)rhodium(I) Chloride?

The rotatable bond count of Tris(triphenylphosphine)rhodium(I) Chloride is 9.

How many rotatable bonds does Tris(triphenylphosphine)rhodium(I) Chloride have?

Tris(triphenylphosphine)rhodium(I) Chloride has 9 rotatable bonds.

What is the exact mass of Tris(triphenylphosphine)rhodium(I) Chloride?

The exact mass of Tris(triphenylphosphine)rhodium(I) Chloride is 924.14776 g/mol.

Synthetic Use

Upstream Synthesis Route 1

• 603-35-0

• 14694-95-2

Reference: [1] Patent: JP2015/120642, 2015, A, . Location in patent: Paragraph 0186

Upstream Synthesis Route 2

• 603-35-0

• 14694-95-2

Reference: [1] Organic Letters, 2017, vol. 19, # 17, p. 4628 - 4631
[2] Catalysis Today, 2013, vol. 200, # 1, p. 54 - 62
[3] New Journal of Chemistry, 2015, vol. 39, # 3, p. 1583 - 1586
[4] Patent: CN105669769, 2016, A, . Location in patent: Paragraph 0017

Upstream Synthesis Route 3

• 12081-16-2
• 603-35-0

• 14694-95-2

Reference: [1]Journal of the American Chemical Society,1966,vol. 88,p. 4537 - 4538
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Rh: SVol.B3, 4.24.3.1, page 131 - 132

Downstream Synthesis Route 1

• 14694-95-2
• 50-00-0

• 17185-29-4

Reference: [1] Catalysis Today, 2013, vol. 200, # 1, p. 54 - 62

Downstream Synthesis Route 2

• 14694-95-2
• 6347-01-9

• 530-26-7
• 488-82-4
• 96-26-4
• 56-81-5
• 1198-69-2

Reference: [1]Andrews, Mark A.
[Organometallics, 1989, vol. 8, # 11, p. 2703 - 2708]

Downstream Synthesis Route 3

• 14694-95-2
• 6347-01-9

• 98-00-0
• 13938-94-8

Reference: [1]Organometallics,1989,vol. 8,p. 2703 - 2708

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