2-Methylphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.16419-60-6

CAS: 16419-60-6 Cat. No.: T103178 Peso molecular: 135.96 Beilstein Registry Number: 16(3)1277 Número EC: 605-351-9 PubChem CID: 2733267

GRADE & PURITY ≥98%

Synonyms

(2-Methylphenyl)boronic acid | HY-W001232 | O-TOLUENEBORONIC ACID | AB03348 | AS-2514 | BCP22769 | ortho-tolyl boronic acid | 2-Tolylboronicacid | o-Tolylboronic acid, >=95.0% | (2-methylphenyl) boronic acid | o-Tolylboronic acid | o-tolyl-boronic acid |

Storage

Room temperature

Shipped In

Normal

Descripción general

Reagent used for 1. Palladium-catalyzed direct arylation of pyrazoles with phenylboronic acids 2. Pd-catalyzed arylation using Suzuki-Miyaura cross-coupling in water ? Ruthenium catalyzed direct arylation reactions ? Ligand-free copper-catalyzed coupling reactions 3. Copper-catalyzed cross-coupling reactions of diaryl diselenides 4. Phosphine-free Suzuki-Miyaura cross-coupling reactions 5. Rhodium-catalyzed asymmetric 1,4-addition reactions

Specifications

Sinónimos

(2-Methylphenyl)boronic acid | HY-W001232 | O-TOLUENEBORONIC ACID | AB03348 | AS-2514 | BCP22769 | ortho-tolyl boronic acid | 2-Tolylboronicacid | o-Tolylboronic acid, >=95.0% | (2-methylphenyl) boronic acid | o-Tolylboronic acid | o-tolyl-boronic acid |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192369
• Sonrisas canónicas: B(C1=CC=CC=C1C)(O)O
• IUPAC Name: (2-methylphenyl)boronic acid
• InChIKey: NSJVYHOPHZMZPN-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3
• Isómeros SMILES: B(C1=CC=CC=C1C)(O)O
• WGK Alemania: 3
• RTECS: ED7777777
• PubChem CID: 2733267
• Peso molecular: 135.96
• Beilstein: 16(3)1277
• Reaxy-Rn: 2935796

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

• Solubilidad: Slightly soluble in water.
• Punto de fusión (°C): 162-164°C
• Peso molecular: 135.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.07 Da
• Monoisotopic Mass: 136.07 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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: 1

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