Bis[rhodium(α,α,α',α'-tetramethyl-1,3-benzenedipropionic Acid)](Rh2(esp)2) - ≥96%(HPLC) , CAS No.819050-89-0

CAS: 819050-89-0 Cat. No.: B152255 Molecular Weight: 758.48 EC Number: 884-019-7 PubChem CID: 72750008

GRADE & PURITY ≥96%(HPLC)

Synonyms

3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid;rhodium | OBMUTUNJWNQIAJ-UHFFFAOYSA-N | BIS[RHODIUM(A,A,A#,A#-TETRAMETHYL-1,3-BENZENEDIPROPIONIC ACID)] | Bis[rhodium(alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenedipropionic acid)] | F

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Bis[rhodium(α,α,α′,α′-tetramethyl-1,3-benzenedipropionicacid)] has been identified as efficient C-H activation catalyst.

Specifications

Synonyms

3-[3-(2-carboxy-2-methylpropyl)phenyl]-2, 2-dimethylpropanoic acid;rhodium | OBMUTUNJWNQIAJ-UHFFFAOYSA-N | BIS[RHODIUM(A, A, A#, A#-TETRAMETHYL-1, 3-BENZENEDIPROPIONIC ACID)] | Bis[rhodium(alpha, alpha, alpha', alpha'-tetramethyl-1, 3-benzenedipropionic acid)] | F

Specifications & Purity

≥96%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772300
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772300
• Canonical Smiles: CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.[Rh].[Rh]
• IUPAC Name: 3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid;rhodium
• InChIKey: OBMUTUNJWNQIAJ-UHFFFAOYSA-N
• INCHI: 1S/2C16H22O4.2Rh/c2*1-15(2,13(17)18)9-11-6-5-7-12(8-11)10-16(3,4)14(19)20;;/h2*5-8H,9-10H2,1-4H3,(H,17,18)(H,19,20)
• Isomeric SMILES: CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.[Rh].[Rh]
• PubChem CID: 72750008
• Molecular Weight: 758.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Phenylpropanes Dicarboxylic acids and derivatives Organic transition metal salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: 3-phenylpropanoic-acid - Phenylpropane - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Molecular Weight: 762.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 762.115 Da
• Monoisotopic Mass: 762.115 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3