4-Iodophenylboronate MIDA ester , CAS No.1287221-36-6

CAS: 1287221-36-6 Cat. No.: I774981 분자식: C₁₁H₁₁BINO₄ 분자량: 358.93 PubChem CID: 71310644

Storage

Room temperature

Shipped In

Normal

Specifications

보관 조건

Room temperature

배송

Normal

이름과 식별자

• 정식 스마일: B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I
• IUPAC Name: 2-(4-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• InChIKey: KIKNJEGAWBNFLW-UHFFFAOYSA-N
• INCHI: 1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
• 이성체 SMILES: B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I
• PubChem CID: 71310644
• 분자량: 358.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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: Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Trialkylamines Carboxylic acid salts Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organoiodides Organoboron compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Boronic acid derivative - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organoboron compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 설명: 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