Cas no 59115-08-1 (Methyl 2-methyl-2-(4-nitrophenyl)propanoate)

Methyl 2-methyl-2-(4-nitrophenyl)propanoate is a nitrophenyl-substituted ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure features a sterically hindered tertiary carbon center adjacent to an aromatic nitro group, which can influence reactivity in nucleophilic substitution or reduction reactions. The ester group enhances solubility in organic solvents, facilitating purification and further derivatization. This compound may serve as a precursor for fine chemicals or agrochemicals due to the versatility of the nitro functionality. Its crystalline nature allows for straightforward characterization and handling. The methyl ester moiety also offers potential for hydrolysis or transesterification, enabling downstream modifications.
Methyl 2-methyl-2-(4-nitrophenyl)propanoate structure
59115-08-1 structure
Product Name:Methyl 2-methyl-2-(4-nitrophenyl)propanoate
CAS No:59115-08-1
MF:C11H13NO4
MW:223.2252
MDL:MFCD20484143
CID:2126477
PubChem ID:11299024
Update Time:2025-05-27

Methyl 2-methyl-2-(4-nitrophenyl)propanoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(4-nitrophenyl)-2-methylpropionate
    • methyl 2-methyl-2-(4-nitrophenyl)propanoate
    • 2-Methyl-2-(4-nitrophenyl)propionic acid methyl ester
    • 2-methyl-2-(4-nitrophenyl)-propionic acid methyl ester
    • HSQIFLIPJUZWEO-UHFFFAOYSA-N
    • methyl 2-methyl-2-(4-nitrophenyl)propionate
    • methyl 2-methyl-2-(4-nitrophenyl)-propanoate
    • 2-methyl-2-(4-nitro-phenyl)-propionic acid methyl ester
    • alpha,alpha-Dimethyl-4-nitrobenzeneacetic acid methyl ester
    • CS-0096359
    • AS-69960
    • methyl2-methyl-2-(4-nitrophenyl)propanoate
    • Benzeneacetic acid, a,a-dimethyl-4-nitro-, methyl ester
    • MFCD20484143
    • SCHEMBL429356
    • 59115-08-1
    • AKOS027254691
    • DB-343221
    • Methyl 2-methyl-2-(4-nitrophenyl)propanoate
    • MDL: MFCD20484143
    • Inchi: 1S/C11H13NO4/c1-11(2,10(13)16-3)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3
    • InChI Key: HSQIFLIPJUZWEO-UHFFFAOYSA-N
    • SMILES: O(C([H])([H])[H])C(C(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 223.08445790g/mol
  • Monoisotopic Mass: 223.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 274
  • 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
  • Topological Polar Surface Area: 72.1
  • XLogP3: 2.5

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Methyl 2-methyl-2-(4-nitrophenyl)propanoate Suppliers

Amadis Chemical Company Limited
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(CAS:59115-08-1)Methyl 2-methyl-2-(4-nitrophenyl)propanoate
Order Number:A1167891
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:10
Price ($):161.0/572.0

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Amadis Chemical Company Limited
(CAS:59115-08-1)Methyl 2-methyl-2-(4-nitrophenyl)propanoate
A1167891
Purity:99%/99%
Quantity:1g/5g
Price ($):161.0/572.0
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