1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate

CAS

120967-70-6

Catalog Number

ACM120967706

Category

Rhodium series of catalysts

Molecular Weight

408.005g/mol

Molecular Formula

C14H18BF4O2Rh-;

MSDS COA Spec Sheet

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Specification

Synonyms

120967-70-6;CYCLOOCTADIENE(HYDROQUINONE)RHODIUM (I) TETRAFLUOROBORATE;1,5-CYCLOOCTADIENE(HYDROQUINONE)RHODIUM(I) TETRAFLUOROBORATE;MFCD09753039;SC10113;1,5-Cyclooctadiene(hydroquinone)rhodium(I)tetrafluoroborate;

IUPAC Name

benzene-1,4-diol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate;

Canonical SMILES

[B-](F)(F)(F)F.C1CC=CCCC=C1.C1=CC(=CC=C1O)O.[Rh];

InChI

InChI=1S/C8H12.C6H6O2.BF4.Rh/c1-2-4-6-8-7-5-3-1;7-5-1-2-6(8)4-3-5;2-1(3,4)5;/h1-2,7-8H,3-6H2;1-4,7-8H;;/q;;-1;/b2-1-,8-7-;;;;

InChI Key

AZTYAQCGFXPPHA-PHFPKPIQSA-N;

Application

A phosphorous free pre-catalyst for the efficient 1,4-conjugate addition of arylboronic acids to enones.

A pre-catalyst for addition of arylboronic acids to aryl aldehydes.

With aluminum isopropoxide forms a self-supported heterogeneous catalyst for the stereoselective polymerization of phenylacetylene to cis-poly(phenylacetylene).

Complexity

147

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

Exact Mass

408.039g/mol

Formal Charge

-1

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

408.039g/mol

Topological Polar Surface Area

40.5A^2

January 20, 2023

Work good in catalytic experiment
In the experiment, 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate can catalyze the conjugated addition of boric acid.

What is the molecular formula of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The molecular formula is C14H18BF4O2Rh.

What is the molecular weight of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The molecular weight is 408.00 g/mol.

How many hydrogen bond donor counts are there in 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

There are 2 hydrogen bond donor counts.

What is the exact mass of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The exact mass is 408.03909 g/mol.

How many defined bond stereocenter counts are there in 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

There are 2 defined bond stereocenter counts.

What is the topological polar surface area of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The topological polar surface area is 40.5 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

What are the component compounds of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The component compounds are Tetrafluoroborate, Rhodium, 1,5-Cyclooctadiene, and Hydroquinone.

What is the IUPAC name of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The IUPAC name is benzene-1,4-diol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.

What is the InChIKey of 1,5-Cyclooctadiene(hydroquinone)rhodium(I) tetrafluoroborate?

The InChIKey is AZTYAQCGFXPPHA-PHFPKPIQSA-N.