RockPhos

• CAS: 1262046-34-3
• Catalog Number: ACM1262046343
• Category: Organic Phosphine Compounds
• Molecular Weight: 468.706g/mol
• Molecular Formula: C31H49OP
• Synonyms: ZINC95910984; 2-(Di-t-butylphosphino)-3-methoxy-6-methyl-2'-4'-6'-tri-i-propyl-1,1'-biphenyl; RockPhos, 97%; di-tert-butyl-[6-methoxy-3-methyl-2-(2,4,6-triisopropylphenyl)phenyl]phosphane; Y-200021; Di-tert-butyl(2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-3-methoxy-6-methyl-[1,1 inverted exclamation marka-biphenyl]-2-yl)phosphine; CVLLAKCGAFNZHJ-UHFFFAOYSA-N; 2-Di-tert-butylphosphino-3-Methoxy-6-Methyl-2',4',6'-triisopropyl-1,1'-biphenyl; SCHEMBL12929986; AX8242285
• IUPAC Name: ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• Canonical SMILES: CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3
• InChI Key: CVLLAKCGAFNZHJ-UHFFFAOYSA-N
• Application: Ligand used in the palladium-catalyzed C-O bond forming reactions of secondary and primary alcohols with a range of aryl halides. Heterocyclic halides and, for the first time, electron-rich aryl halides can be coupled with secondary alcohols.
• Complexity: 563
• Covalently-Bonded Unit Count: 1
• Exact Mass: 468.352g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 33
• Monoisotopic Mass: 468.352g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 9.2A^2

Custom Q&A

What is the PubChem CID of RockPhos?

The PubChem CID of RockPhos is 56641709.

What is the molecular formula of RockPhos?

The molecular formula of RockPhos is C31H49OP.

What are the synonyms of RockPhos?

The synonyms of RockPhos include 1262046-34-3, RockPhos, Di-tert-butyl (2',4',6'-triisopropyl-3-methoxy-6-methyl-[1,1'-biphenyl]-2-yl)phosphine, ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane, Phosphine, bis(1,1-dimethylethyl)[3-methoxy-6-methyl-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl].

What is the molecular weight of RockPhos?

The molecular weight of RockPhos is 468.7 g/mol.

What is the IUPAC name of RockPhos?

The IUPAC name of RockPhos is ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

What is the InChI of RockPhos?

The InChI of RockPhos is InChI=1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3.

What is the InChIKey of RockPhos?

The InChIKey of RockPhos is CVLLAKCGAFNZHJ-UHFFFAOYSA-N.

What is the canonical SMILES of RockPhos?

The canonical SMILES of RockPhos is CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C.

What is the CAS number of RockPhos?

The CAS number of RockPhos is 1262046-34-3.

Is RockPhos a canonicalized compound?

Yes, RockPhos is a canonicalized compound.