Cas no 58469-03-7 (Methyl 1-phenylcyclobutanecarboxylate)

Methyl 1-phenylcyclobutanecarboxylate is a cyclobutane-based ester compound featuring a phenyl substituent at the 1-position. Its unique structure, combining a rigid cyclobutane ring with an aromatic phenyl group, makes it a valuable intermediate in organic synthesis and pharmaceutical research. The ester functionality enhances its reactivity in nucleophilic substitution and hydrolysis reactions, while the steric and electronic effects of the phenylcyclobutane moiety contribute to its utility in the development of bioactive molecules. This compound is particularly useful in medicinal chemistry for the design of constrained analogs and as a building block for novel heterocycles. Its stability and synthetic versatility make it a preferred choice for research applications.
Methyl 1-phenylcyclobutanecarboxylate structure
58469-03-7 structure
Product Name:Methyl 1-phenylcyclobutanecarboxylate
CAS No:58469-03-7
MF:C12H14O2
MW:190.238363742828
MDL:MFCD11035753
CID:1069899
PubChem ID:12543594
Update Time:2025-05-26

Methyl 1-phenylcyclobutanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1-phenylcyclobutanecarboxylate
    • methyl 1-phenylcyclobutane-1-carboxylate
    • 1-(Methoxycarbonyl)-1-phenylcyclobutane
    • 1-Phenyl-1-cyclobutylcarbonsaeuremethylester
    • AG-C-12114
    • CTK6I7928
    • KB-86225
    • SureCN2481767
    • CS-0453976
    • F93659
    • SCHEMBL2481767
    • MFCD11035753
    • AKOS026675473
    • Z209824608
    • 58469-03-7
    • DTXSID10501952
    • METHYL1-PHENYLCYCLOBUTANECARBOXYLATE
    • PS-3878
    • MDL: MFCD11035753
    • Inchi: 1S/C12H14O2/c1-14-11(13)12(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
    • InChI Key: XGGOKJRFMJCJLR-UHFFFAOYSA-N
    • SMILES: O(C)C(C1(C2C=CC=CC=2)CCC1)=O

Computed Properties

  • Exact Mass: 190.09942
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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Methyl 1-phenylcyclobutanecarboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:58469-03-7)Methyl 1-phenylcyclobutanecarboxylate
Order Number:A1184889
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:56
Price ($):679.0/194.0
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Amadis Chemical Company Limited
(CAS:58469-03-7)Methyl 1-phenylcyclobutanecarboxylate
A1184889
Purity:99%/99%
Quantity:5g/1g
Price ($):679.0/194.0
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