cis-1,2-Cyclopentanedicarboxylic anhydride - ≥97%(GC) , CAS No.35878-28-5

CAS: 35878-28-5 Cat. No.: I169885 Molecular Weight: 140.14 Beilstein Registry Number: 12396900 EC Number: 252-773-0

GRADE & PURITY ≥97%(GC)

Synonyms

AT11428 | AKOS006277883 | cis-Cyclopentane-1,2-dicarboxylic acid anhydride | EN300-252405 | EINECS 252-773-0 | cis-1,2-Cyclopentanedicarboxylic anhydride | cis-1,2-Cyclopentanedicarboxylicanhydride | (3aR,6aS)-hexahydro-1H-cyclopenta[c]furan-1,3-dione | F

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

cis-1,2-Cyclopentanedicarboxylic Anhydride functions as a reagent in the enantioselective synthesis of disubstituted proline derivatives and its application in synthesis of hepatitis C virus protease inhibitor telaprevir, Nrf2-Keap1 complex inhibitors preparation, binding mode and structural-activity relationship.

Specifications

Synonyms

AT11428 | AKOS006277883 | cis-Cyclopentane-1, 2-dicarboxylic acid anhydride | EN300-252405 | EINECS 252-773-0 | cis-1, 2-Cyclopentanedicarboxylic anhydride | cis-1, 2-Cyclopentanedicarboxylicanhydride | (3aR, 6aS)-hexahydro-1H-cyclopenta[c]furan-1, 3-dione | F

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488196926
• Canonical Smiles: C1CC2C(C1)C(=O)OC2=O
• IUPAC Name: (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
• InChIKey: NMSRALOLNIBERV-SYDPRGILSA-N
• INCHI: 1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+
• Isomeric SMILES: C1C[C@@H]2[C@H](C1)C(=O)OC2=O
• WGK Germany: 3
• Molecular Weight: 140.14
• Beilstein: 12396900
• Reaxy-Rn: 82392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Oxolanes Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Oxolane - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Chemical and Physical Properties

• Molecular Weight: 140.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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