exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Anhydride - ≥98% , CAS No.6118-51-0

CAS: 6118-51-0 Cat. No.: I134235 Peso molecular: 166.13 Beilstein Registry Number: 19(2)181 Número EC: 629-406-1

GRADE & PURITY ≥98%

Synonyms

3,2,3,6-tetrahydrophthalic anhydride | 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride | NSC14002 | NSC-14002 | A833080 | MFCD00151506 | NSC 231495 | 4,10-Dioxa-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione | 7-Oxabicyclo[2.2.1]-5-heptene-2,3-dicarbo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3, 2, 3, 6-tetrahydrophthalic anhydride | 7-Oxabicyclo[2.2.1]hept-5-ene-2, 3-dicarboxylic anhydride | NSC14002 | NSC-14002 | A833080 | MFCD00151506 | NSC 231495 | 4, 10-Dioxa-tricyclo[5.2.1.0*2, 6*]dec-8-ene-3, 5-dione | 7-Oxabicyclo[2.2.1]-5-heptene-2, 3-dicarbo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187124
• Sonrisas canónicas: C1=CC2C3C(C1O2)C(=O)OC3=O
• IUPAC Name: 4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
• InChIKey: QQYNRBAAQFZCLF-UHFFFAOYSA-N
• INCHI: 1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H
• Isómeros SMILES: C1=CC2C3C(C1O2)C(=O)OC3=O
• RTECS: KC9650000
• Peso molecular: 166.13
• Beilstein: 19(2)181
• Reaxy-Rn: 162153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162153&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furofurans
• Alternative Parents: Dicarboxylic acids and derivatives Tetrahydrofurans Dihydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Furofuran - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Dihydrofuran - Tetrahydrofuran - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Objetivos asociados (no humanos)

Ppp2r1a Serine/threonine protein phosphatase 2A, 65 kDa regulatory subunit A, alpha isoform (4 Activities)

Discover Target: Ppp2r1a

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Hydrolyzes in water.
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 118°C
• Peso molecular: 166.130 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 166.027 Da
• Monoisotopic Mass: 166.027 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 278.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yangjing Chen, Zhiyu Hu, Hongting Pu.  (2023)  Macromolecular Metamorphosis in a Polymer Network via the Reversible Collapse of Single-Chain Nanoparticles.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.3c01627]