MorDalphos

• CAS: 1237588-12-3
• Catalog Number: ACM1237588123
• Category: Organic Phosphine Compounds
• Molecular Weight: 463.646g/mol
• Molecular Formula: C30H42NOP
• Synonyms: 2-Morpholinophenyldi(1-adamantyl)phosphine; SC11165; bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane; Mor-DalPhos; 4-(2-(Di(adamantan-1-yl)phosphino)phenyl)morpholine; Di(1-adamantyl)-2-morpholinophenylphosphine; ZINC71773616; AK307802
• IUPAC Name: bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane
• Canonical SMILES: C1COCCN1C2=CC=CC=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7
• InChI: InChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2
• InChI Key: CCBRRSUORFMQCZ-UHFFFAOYSA-N
• Application: P-N-ligand for use in the Pd-catalyzed cross-coupling of ammonia and hydrazine. Ref. (2) with a diverse range of sterically hindered, unbiased aryl chlorides. Low catalyst loading and mild conditions. Ref (5) with diamines in a chemoselective arylation process. Ref (6) with solvent-free or aqueous conditions.; ; P-N-ligand for the gold-catalyzed stereoselective hydroamination of internal alkynes with dialkylamines to afford E-amines.; ; P-N-ligand for use in the Pd-catalyzed for mono-α-arylation of ketones employing aryl chlorides, bromides, iodides, mesylates (Ref. 7) and tosylates.
• Storage: 2-8°C
• Complexity: 632
• Covalently-Bonded Unit Count: 1
• Exact Mass: 463.3g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 33
• Monoisotopic Mass: 463.3g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 12.5A^2

Custom Q&A

What is the PubChem CID of MorDalphos?

PubChem CID 46848051.

What is the molecular formula of MorDalphos?

The molecular formula of MorDalphos is C30H42NOP.

What are the synonyms of MorDalphos?

The synonyms of MorDalphos are: 1237588-12-3, 4-(2-(Di(adamantan-1-yl)phosphino)phenyl)morpholine, Mor-DalPhos, MorDalphos, N-[2-(DI-1-ADAMANTYLPHOSPHINO)PHENYL]MORPHOLINE.

What is the molecular weight of MorDalphos?

The molecular weight of MorDalphos is 463.6 g/mol.

When was MorDalphos created?

MorDalphos was created on August 23, 2010.

When was MorDalphos last modified?

MorDalphos was last modified on December 30, 2023.

What is the IUPAC name of MorDalphos?

The IUPAC name of MorDalphos is bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane.

What is the InChI of MorDalphos?

The InChI of MorDalphos is InChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2.

What is the InChIKey of MorDalphos?

The InChIKey of MorDalphos is CCBRRSUORFMQCZ-UHFFFAOYSA-N.

What is the Canonical SMILES of MorDalphos?

The Canonical SMILES of MorDalphos is C1COCCN1C2=CC=CC=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7.