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 Peso molecular: 758.48 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥96%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504772300
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772300
• Sonrisas canónicas: 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)
• Isómeros 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
• Peso molecular: 758.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 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

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