methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate - ≥97% , CAS No.1227664-20-1

CAS: 1227664-20-1 Cat. No.: M627564 Molecular Weight: 301.14 PubChem CID: 46702955

GRADE & PURITY ≥97%

Synonyms

1227664-20-1 | methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate | MFCD18427590 | 2-(Methoxycarbonyl)indole-3-boronic Acid Pinacol Ester | BS-42934 | SY274164 | D84879 | Methyl Indole-2-carboxylate-3-boronic acid pinacol ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1227664-20-1 | methyl 3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indole-2-carboxylate | MFCD18427590 | 2-(Methoxycarbonyl)indole-3-boronic Acid Pinacol Ester | BS-42934 | SY274164 | D84879 | Methyl Indole-2-carboxylate-3-boronic acid pinacol ester

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=C(NC3=CC=CC=C23)C(=O)OC
• IUPAC Name: methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
• InChIKey: VIRKGLUEBJNUER-UHFFFAOYSA-N
• INCHI: 1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)12-10-8-6-7-9-11(10)18-13(12)14(19)20-5/h6-9,18H,1-5H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NC3=CC=CC=C23)C(=O)OC
• PubChem CID: 46702955
• Molecular Weight: 301.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Boronic acid esters Dioxaborolanes Heteroaromatic compounds Methyl esters Azacyclic compounds Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrole - Methyl ester - Heteroaromatic compound - Boronic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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