Cas no 134568-16-4 (Methyl 3-oxo-3-(thiophen-2-yl)propanoate)

Methyl 3-oxo-3-(thiophen-2-yl)propanoate is a versatile organic compound featuring a thiophene moiety linked to a β-ketoester functional group. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of heterocyclic compounds, pharmaceuticals, and agrochemicals. The presence of both the thiophene ring and the reactive ketoester group allows for diverse chemical transformations, including condensation, cyclization, and nucleophilic substitution reactions. Its stability under standard conditions and compatibility with common reagents enhance its utility in multistep syntheses. The compound is typically used in research and industrial applications where precise functionalization of thiophene derivatives is required.
Methyl 3-oxo-3-(thiophen-2-yl)propanoate structure
134568-16-4 structure
Product Name:Methyl 3-oxo-3-(thiophen-2-yl)propanoate
CAS No:134568-16-4
MF:C8H8O3S
MW:184.212321281433
MDL:MFCD03424761
CID:135257
PubChem ID:2760275
Update Time:2025-05-20

Methyl 3-oxo-3-(thiophen-2-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenepropanoicacid, b-oxo-, methyl ester
    • 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID METHYL ESTER
    • Methyl 3-oxo-3-(2-thienyl)propanoate
    • methyl 3-oxo-3-thiophen-2-ylpropanoate
    • 3-Oxo-3-thiophene-2-2yl-propionic acid methyl ester
    • 3-oxo-3-thiophene-2-yl-propionic acid methyl ester
    • methyl 2-thiophenecarbonylacetate
    • methyl 3-oxo-3-(2-thiophenyl)propanoate
    • methyl 3-oxo-3-(thien-2-yl)propanoate
    • METHYL 3-OXO-3-(THIOPHEN-2-YL)PROPANOATE
    • methyl-oxo-(2-thiophene)propionate
    • AM92006
    • 134568-16-4
    • 3-oxo-3-thiophen-2-ylpropanoic acid methyl ester
    • EC 603-835-4
    • CS-0433869
    • DNCOUBWXEBETIP-UHFFFAOYSA-N
    • METHYL3-OXO-3-(THIOPHEN-2-YL)PROPANOATE
    • J-006561
    • AS-42411
    • methyl 2-(2-thenoyl)acetate
    • Methyl 3-oxo-3-(thiophen-2-yl) propanoate
    • DTXSID60375089
    • SCHEMBL1143695
    • A806800
    • NS00003086
    • MFCD03424761
    • FT-0693549
    • AKOS004118319
    • ALBB-022192
    • 2-thiophenepropanoic acid, beta-oxo-, methyl ester
    • DB-017954
    • Methyl 3-oxo-3-(thiophen-2-yl)propanoate
    • MDL： MFCD03424761
    • Inchi： 1S/C8H8O3S/c1-11-8(10)5-6(9)7-3-2-4-12-7/h2-4H,5H2,1H3
    • InChI Key： DNCOUBWXEBETIP-UHFFFAOYSA-N
    • SMILES： S1C=CC=C1C(CC(=O)OC)=O

Computed Properties

  • Exact Mass: 184.01900
  • Monoisotopic Mass: 184.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 191
  • 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: 71.6A^2
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.253
  • Boiling Point: 95°C/0.15mm
  • Flash Point: 120.6 °C
  • PSA: 71.61000
  • LogP: 1.49390

Methyl 3-oxo-3-(thiophen-2-yl)propanoate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 3-oxo-3-(thiophen-2-yl)propanoate Pricemore >>

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abcr
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