2-[2-(Dicyclohexylphosphino)phenyl]-N-methylindole

• Catalog Number: ACM1067883582-1
• Product Name: 2-[2-(Dicyclohexylphosphino)phenyl]-N-methylindole
• CAS: 1067883-58-2
• Category: Heterocyclic Organic Compound
• Synonyms: 2-[2-(Dicyclohexylphosphino)phenyl]-1-methyl-1H-indole; CM-Phos
• IUPAC Name: dicyclohexyl-[2-(1-methylindol-2-yl)phenyl]phosphane
• Molecular Weight: 403.54
• Molecular Formula: C27H34NP
• Canonical SMILES: CN1C2=CC=CC=C2C=C1C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5
• InChI: PFJAHDIIEPTASS-UHFFFAOYSA-N
• InChI Key: InChI=1S/C27H34NP/c1-28-25-18-10-8-12-21(25)20-26(28)24-17-9-11-19-27(24)29(22-13-4-2-5-14-22)23-15-6-3-7-16-23/h8-12,17-20,22-23H,2-7,13-16H2,1H3
• Boiling Point: 582.4±33.0 °C(Predicted)
• Melting Point: 180-185 °C
• Appearance: Solid
• Application: Suzuki-Miyaura Coupling of Aryl Mesylates and alkenyl tosylate and mesylate bearing alkyl, methoxy, aldehyde, keto, nitrile, ester, and heteroaryl substitution.; ; Sonogashira Coupling of Aryl Mesylates, R' = alkyl, aryl; R = C(O)R, COOMe, CHO, CN.; ; Buchwald-Hartwig Amination of Aryl Mesylates, R = cyano, chloro, methoxy, keto, ester and etc.; ; Additional catalyzed reactions include Cyanation of functional Aryl Mesylates and Chlorides; Hiyama Coupling of Aryl Mesylates; Direct Arylation of Heterocycles with Aryl Mesylates; Borylation of Aryl Mesylates.
• Complexity: 491
• Covalently-Bonded Unit Count: 1
• Exact Mass: 403.243g/mol
• Heavy Atom Count: 29
• Isomeric SMILES: CN1C2=CC=CC=C2C=C1C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5
• Monoisotopic Mass: 403.243g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 4.9A^2

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is dicyclohexyl-[2-(1-methylindol-2-yl)phenyl]phosphane.

What is the molecular formula of the compound?

The molecular formula of the compound is C27H34NP.

What is the exact mass of the compound?

The exact mass of the compound is 403.242887086.

What is the CAS number of the compound?

The CAS number of the compound is 1067883-58-2.

How many hydrogen bond acceptors does the compound have?

The compound has 0 hydrogen bond acceptors.

How many heavy atoms are present in the compound?

There are 29 heavy atoms present in the compound.

How many rotatable bonds does the compound have?

The compound has 4 rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 4.9.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 6.9.

What is the InChIKey of the compound?

The InChIKey of the compound is PFJAHDIIEPTASS-UHFFFAOYSA-N.