4-Pentenoyl chloride - ≥97% , CAS No.39716-58-0

CAS: 39716-58-0 Cat. No.: P278805 Peso molecular: 118.56 Número EC: 700-100-0 PubChem CID: 4228493

GRADE & PURITY ≥97%

Synonyms

4-Pentenoyl chloride|39716-58-0|Pent-4-enoyl Chloride|MFCD00799572|pent-4-enoylchloride|4-PENTENOYLCHLORIDE|Allylacetylchlorid|Pent-4-enoylchlorde|allyl acetyl chloride|EC 700-100-0|SCHEMBL38207|4-Pentenoyl chloride, 98%|AMY808|DTXSID50401043|JDKQTIKEGOOX

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

4-Pentenoyl chloride has been identified as a key impurity in 5-chlorovaleroyl chloride (5-CVC).4-Pentenoyl chloride can be synthesized by reacting thionyl chloride and 4-pentenoic acid.
Used in the preparation of an acyclic tripeptide containing a heterochiral D-pro-L-pro template with a propensity to exist as a 310 helical conformation. Cyclization via olefin metathesis (Grubbs Catalyst) provides the coresponding tetrapeptide without disruption of the helical conformation.

Specifications

Sinónimos

4-Pentenoyl chloride | 39716-58-0 | Pent-4-enoyl Chloride | MFCD00799572 | pent-4-enoylchloride | 4-PENTENOYLCHLORIDE | Allylacetylchlorid | Pent-4-enoylchlorde | allyl acetyl chloride | EC 700-100-0 | SCHEMBL38207 | 4-Pentenoyl chloride, 98% | AMY808 | DTXSID50401043 | JDKQTIKEGOOX

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C=CCCC(=O)Cl
• IUPAC Name: pent-4-enoyl chloride
• InChIKey: JDKQTIKEGOOXTJ-UHFFFAOYSA-N
• INCHI: 1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2
• Isómeros SMILES: C=CCCC(=O)Cl
• WGK Alemania: 1
• PubChem CID: 4228493
• Peso molecular: 118.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air and moisture sensitive
• Punto de inflamación (°F): 80.6 °F
• Punto de inflamación (°C): 27 °C
• Punto de ebullición (°C): 125 °C
• Peso molecular: 118.560 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 118.019 Da
• Monoisotopic Mass: 118.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 78.100
• 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

Referencias

1. Qing Gao, Yang Zang, Ju Xie, Yongchuan Wu, Huaiguo Xue.  (2021)  4-Pentenoyl-isoleucyl-chitosan oligosaccharide and acrylamide functional monomer-dependent hybrid bilayer molecularly imprinted membrane for sensitive electrochemical sensing of bisphenol A.  RSC Advances,  11  (58): (36769-36776).  [PMID:35494341] [10.1039/D1RA04924K]