6-(1,3-Dioxoisoindol-2-yl)hexanoic acid - ≥98% , CAS No.4443-26-9

CAS: 4443-26-9 Cat. No.: D184573 Molecular Weight: 261.3 EC Number: 224-675-8

GRADE & PURITY ≥98%

Synonyms

BB 0244833 | CCG-15489 | A826576 | STK247055 | 2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo- | 6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid # | 940CG562FX | n-(5-carboxypentyl)phthalimide | CBDivE_006378 | D95093 | LS-05178 | Caprolactim

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application：

6-(1,3-Dioxoisoindolin-2-yl)hexanoic Acid is used in the synthesis and characterization of antioxidant-functionalized multi-walled carbon nanotubes. It was also used in the synthesis of N-substituted isoindolinedione derivatives which displayed good anticovulsant activity when compared to sodium valproate.

Specifications

Synonyms

BB 0244833 | CCG-15489 | A826576 | STK247055 | 2H-Isoindole-2-hexanoic acid, 1, 3-dihydro-1, 3-dioxo- | 6-(1, 3-Dioxo-1, 3-dihydro-2H-isoindol-2-yl)hexanoic acid # | 940CG562FX | n-(5-carboxypentyl)phthalimide | CBDivE_006378 | D95093 | LS-05178 | Caprolactim

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755261
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)O
• IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)hexanoic acid
• InChIKey: QJDSLDWVMCWWCO-UHFFFAOYSA-N
• INCHI: 1S/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)O
• Molecular Weight: 261.3
• Reaxy-Rn: 231215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=231215&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: Phthalimides Indoles Isoindoles Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Benzenoids N-substituted carboxylic acid imides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Phthalimide - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 103-107°C
• Molecular Weight: 261.269 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 261.1 Da
• Monoisotopic Mass: 261.1 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 356.000
• 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