4-(Dimethylamino)phenyldiphenylphosphine

• CAS: 739-58-2
• Catalog Number: ACM739582-2
• Category: Other Phosphine Ligands
• Molecular Weight: 305.35
• Molecular Formula: C20H20NP
• Synonyms: 4-(Diphenylphosphino)-N,N-Dimethylaniline; Diphenyl[4-(N,N-Dimethylamino)Phenyl]Phosphine
• IUPAC Name: 4-Diphenylphosphanyl-N,N-dimethylaniline
• SMILES: CN(C)C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
• InChI: InChI=1S/C20H20NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
• InChI Key: GOEGBJDTWXTPHP-UHFFFAOYSA-N
• Boiling Point: 417.5±28.0°C (Predicted)
• Melting Point: 151-154°C (lit.)
• Appearance: Solid
• Complexity: 292
• Covalently-Bonded Unit Count: 1
• Exact Mass: 305.133g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 22
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
• Monoisotopic Mass: 305.133g/mol
• Physical State: Solid
• pKa: 4.20±0.12 (Predicted)
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 3.2A^2

Custom Q&A

What is the molecular formula of 4-(Dimethylamino)phenyldiphenylphosphine?

The molecular formula of 4-(Dimethylamino)phenyldiphenylphosphine is C20H20NP.

When was 4-(Dimethylamino)phenyldiphenylphosphine created in PubChem?

4-(Dimethylamino)phenyldiphenylphosphine was created in PubChem on September 7, 2005.

What is the molecular weight of 4-(Dimethylamino)phenyldiphenylphosphine?

The molecular weight of 4-(Dimethylamino)phenyldiphenylphosphine is 305.4 g/mol.

What is the InChIKey of 4-(Dimethylamino)phenyldiphenylphosphine?

The InChIKey of 4-(Dimethylamino)phenyldiphenylphosphine is GOEGBJDTWXTPHP-UHFFFAOYSA-N.

How many heavy atoms are there in 4-(Dimethylamino)phenyldiphenylphosphine?

There are 22 heavy atoms in 4-(Dimethylamino)phenyldiphenylphosphine.

Is 4-(Dimethylamino)phenyldiphenylphosphine a canonicalized compound?

Yes, 4-(Dimethylamino)phenyldiphenylphosphine is a canonicalized compound.

What is the XLogP3-AA value of 4-(Dimethylamino)phenyldiphenylphosphine?

The XLogP3-AA value of 4-(Dimethylamino)phenyldiphenylphosphine is 4.7.

How many hydrogen bond acceptor count does 4-(Dimethylamino)phenyldiphenylphosphine have?

4-(Dimethylamino)phenyldiphenylphosphine has 1 hydrogen bond acceptor count.

What is the complexity value of 4-(Dimethylamino)phenyldiphenylphosphine?

The complexity value of 4-(Dimethylamino)phenyldiphenylphosphine is 292.

What are some synonyms for 4-(Dimethylamino)phenyldiphenylphosphine?

Some synonyms for 4-(Dimethylamino)phenyldiphenylphosphine include 4-(Diphenylphosphino)-N,N-dimethylaniline and 4-(Dimethylamino)triphenylphosphine.

Synthetic Use

Upstream Synthesis Route 1

• 586-77-6
• 1079-66-9

• 739-58-2

Reference: [1] Patent: CN105859774, 2016, A, . Location in patent: Paragraph 0090; 0091; 0092; 0093

Upstream Synthesis Route 2

• 797-72-8

• 739-58-2

Reference: [1] Chemistry - A European Journal, 2017, vol. 23, # 58, p. 14434 - 14438

Upstream Synthesis Route 3

• 121-69-7
• 1079-66-9

• 739-58-2

Reference: [1] Journal of the American Chemical Society, 1967, vol. 89, p. 5235 - 5246

Upstream Synthesis Route 4

• 29972-74-5

• 739-58-2

Reference: [1]Justus Liebigs Annalen der Chemie,1890,vol. 260,p. 6
Chemische Berichte,1888,vol. 21,p. 1501

Downstream Synthesis Route 1

• 739-58-2

• 797-72-8

Reference: [1]Justus Liebigs Annalen der Chemie,1890,vol. 260,p. 34
[2]Australian Journal of Chemistry,2003,vol. 56,p. 1135 - 1139
[3]Advanced Synthesis and Catalysis,2012,vol. 354,p. 389 - 398

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