4-Methylphenylboronate MIDA ester - ≥98% , CAS No.943552-01-0

CAS: 943552-01-0 Cat. No.: M774956 Fórmula: C₁₂H₁₄BNO₄ Peso molecular: 247.05 PubChem CID: 50896241

GRADE & PURITY ≥98%

Synonyms

6-Methyl-2-p-tolyl-1,3,6,2-dioxazaborocane-4,8-dione | (T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO](4-methylphenyl)boron

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

6-Methyl-2-p-tolyl-1,3,6,2-dioxazaborocane-4,8-dione | (T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO](4-methylphenyl)boron

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)C
• IUPAC Name: 6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
• InChIKey: XXJWDGQXUAQEKD-UHFFFAOYSA-N
• INCHI: 1S/C12H14BNO4/c1-9-3-5-10(6-4-9)13-17-11(15)7-14(2)8-12(16)18-13/h3-6H,7-8H2,1-2H3
• SMILES isoméricas: B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)C
• PubChem CID: 50896241
• Peso molecular: 247.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Toluenes Dicarboxylic acids and derivatives Trialkylamines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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