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

CAS: 943552-01-0 Cat. No.: M774956 Formula: C₁₂H₁₄BNO₄ Molecular Weight: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)C

PubChem CID

50896241

Molecular Weight

247.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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