1-Cyclopentenecarboxylic Acid - ≥98%(HPLC) , CAS No.1560-11-8

CAS: 1560-11-8 Cat. No.: C153747 Molecular Weight: 112.13 Beilstein Registry Number: 9(4)109 EC Number: 626-080-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

HY-W005540 | J-009268 | 4-09-00-00109 (Beilstein Handbook Reference) | CYCLOPENTENECARBOXY | Histidine, N-(4-aminobutyryl)-, L- | CB 1684 | 1-Cyclopentene-1-carboxylic acid | ghl.PD_Mitscher_leg0.28 | SY027520 | 1-Cyclopentenylcarboxylic acid | Decanoyl-D

Storage

Room temperature

Shipped In

Normal

Overview

1-Cyclopentenecarboxylic acid was evaluated as a new effective anticonvulsant during Anticonvulsant Screening Program (ASP) of Antiepileptic Drug Development Program.
1-Cyclopentenecarboxylic acid was used in synthesis of cis-8-hexahydroindanecarboxylic acid via Diels-Alder reaction with butadiene. It was also used in synthesis of isoxazole derivatives.

Specifications

Synonyms

HY-W005540 | J-009268 | 4-09-00-00109 (Beilstein Handbook Reference) | CYCLOPENTENECARBOXY | Histidine, N-(4-aminobutyryl)-, L- | CB 1684 | 1-Cyclopentene-1-carboxylic acid | ghl.PD_Mitscher_leg0.28 | SY027520 | 1-Cyclopentenylcarboxylic acid | Decanoyl-D

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504756296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756296
• Canonical Smiles: C1CC=C(C1)C(=O)O
• IUPAC Name: cyclopentene-1-carboxylic acid
• InChIKey: PYRZPBDTPRQYKG-UHFFFAOYSA-N
• INCHI: 1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)
• Isomeric SMILES: C1CC=C(C1)C(=O)O
• WGK Germany: 3
• RTECS: GY5976100
• UN Number: 3261
• Packing Group: III
• Molecular Weight: 112.13
• Beilstein: 9(4)109
• Reaxy-Rn: 1446347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446347&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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): 121-124°C
• Molecular Weight: 112.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.052 Da
• Monoisotopic Mass: 112.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 135.000
• 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

References

1. Fen Huang, Wanli Liang, Hong-Xiao Yang, Yun-Qi Dai, Hongjuan Wang, Yonghai Cao, Hao Yu, Hao-Fan Wang.  (2025)  Templated Synthesis of Defect-Rich Metal–Organic Frameworks for Efficient Oxygen Evolution Electrocatalysis.  Advanced Sustainable Systems,      [PMID:] [10.1002/adsu.202500457]