Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)

• CAS: 470688-18-7
• Catalog Number: ACM470688187
• Category: Ruthenium series catalysts
• Molecular Weight: 621.139g/mol
• Molecular Formula: C34H30ClNO2Ru
• Synonyms: 470688-18-7;Chlorodicarbonyl[1-(i-PropylaMino)-2,3,4,5-Tetraphenylcyclopentadienyl]Ruthenium(II);KS-000018PD;AKOS024259166;Chlorodicarbonyl[1-(i-propylamino);-2,3,4,5-tetraphenylcyclopentadienyl]ruthenium(II)
• IUPAC Name: chlororuthenium(3+);methanone;2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-2,4-dien-1-amine
• Canonical SMILES: CC(C)N[C-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH-]=O.[CH-]=O.Cl[Ru+3]
• InChI: InChI=1S/C32H28N.2CHO.ClH.Ru/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27;2*1-2;;/h3-23,33H,1-2H3;2*1H;1H;/q3*-1;;+4/p-1
• InChI Key: KIHQSADFAGYHKF-UHFFFAOYSA-M
• Application: Metal catalyst used in conjunction with enzymes for enantioselective transformations via dynamic kinetic resolution.
• Complexity: 564
• Covalently-Bonded Unit Count: 4
• Exact Mass: 621.101g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 39
• Monoisotopic Mass: 621.101g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 46.2A^2

Custom Reviews

April 6, 2023

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Good catalysts in the selective separation of secondary alcohols
As a racemic catalyst, eight simple secondary alcohols of high optical purity can be effectively separated in good yields

Custom Q&A

What is the molecular formula of Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The molecular formula is C34H28ClNO2Ru.

What is the molecular weight of Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The molecular weight is 619.1 g/mol.

When was this compound created and modified?

It was created on 2013-12-31 and modified on 2023-12-30.

What are the component compounds of Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The component compounds are Carbon Monoxide, Chloro ruthenium, and the parent compound CID 11285008.

What is the Canonical SMILES of Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The Canonical SMILES is CC(C)NC1=C(C(=C([C]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].Cl[Ru].

What is the CAS number for Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The CAS number is 470688-18-7.

How many hydrogen bond donor count does Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II) have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)?

The topological polar surface area is 142.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many covalently-bonded unit count does Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II) have?

It has 4 covalently-bonded unit count.