Cas no 83397-45-9 (Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate)

Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate is a nitrophenyl-substituted ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure features a nitro group at the para position of the phenyl ring, enhancing reactivity in electrophilic and nucleophilic substitution reactions. The ethyl ester moiety improves solubility in organic solvents, facilitating purification and handling. This compound is valued for its stability under standard conditions and its utility as a building block in the synthesis of more complex molecules, including potential agrochemicals or bioactive compounds. Its well-defined molecular architecture allows for precise modifications, making it a versatile intermediate in research and industrial settings.
Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate structure
83397-45-9 structure
Product Name:Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate
CAS No:83397-45-9
MF:C12H15NO4
MW:237.251803636551
MDL:MFCD20130712
CID:706642
PubChem ID:15544079
Update Time:2025-06-08

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

Names and Identifiers

    • Benzeneaceticacid, a,a-dimethyl-4-nitro-, ethyl ester
    • ethyl 2-methyl-2-(4-nitrophenyl)propionate
    • Ethyl 2-methyl-2-(4-nitrophenyl)propanoate
    • SEQTUSZKRDHNDC-UHFFFAOYSA-N
    • EN300-250845
    • Z1248858422
    • ethyl (4-nitrophenyl)-2,2-dimethylacetate
    • Benzeneacetic acid, alpha,alpha-dimethyl-4-nitro-, ethyl ester
    • ethyl 2-(4-nitrophenyl)-2-methylpropanoate
    • ethyl2-methyl-2-(4-nitrophenyl)propanoate
    • 83397-45-9
    • CS-0242524
    • MFCD20130712
    • AB15295
    • AKOS033190949
    • 2-Methyl-2-(4-nitro-phenyl)-propionic acid ethyl ester
    • SCHEMBL395369
    • Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate
    • MDL: MFCD20130712
    • Inchi: 1S/C12H15NO4/c1-4-17-11(14)12(2,3)9-5-7-10(8-6-9)13(15)16/h5-8H,4H2,1-3H3
    • InChI Key: SEQTUSZKRDHNDC-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C)(C)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 237.10010796g/mol
  • Monoisotopic Mass: 237.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 287
  • 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: 2.8
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • Density: 1.160±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.11 g/l) (25 o C),

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

Amadis Chemical Company Limited
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(CAS:83397-45-9)Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate
Order Number:A1180010
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:43
Price ($):3149.0
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Amadis Chemical Company Limited
(CAS:83397-45-9)Ethyl 2-Methyl-2-(4-nitrophenyl)propanoate
A1180010
Purity:99%
Quantity:5g
Price ($):3149.0
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