Cas no 122308-24-1 (3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid)

3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid is a specialized organic compound featuring a thiophene-substituted propanoic acid backbone with a methoxycarbonyl group at the 3-position. Its unique structure, combining a thiophene heterocycle and a β-keto ester moiety, makes it a valuable intermediate in synthetic organic chemistry, particularly for the construction of heterocyclic frameworks or functionalized carboxylic acid derivatives. The compound exhibits reactivity at both the ester and carboxylic acid groups, enabling diverse transformations such as nucleophilic substitutions or decarboxylative coupling reactions. Its thiophene component contributes to potential electronic properties, suggesting utility in materials science or pharmaceutical applications where conjugated systems are desired. The presence of multiple functional groups allows for selective modifications, offering versatility in fine chemical synthesis.

3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid structure

122308-24-1 structure

Product Name:3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid

CAS No:122308-24-1

MF:C₉H₁₀O₄S

MW:214.238301753998

MDL:MFCD12964318

CID:104529

Update Time:2025-07-02

3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid Chemical and Physical Properties

Names and Identifiers

- Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester
- 3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoate
- 3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid
- Monomethyl 2-(2-thienylmethyl)malonate
- Monomethyl 2-(2-thienylmethyl)propanedioate
- Propanedioic acid,2-(2-thienylmethyl)-,monomethyl ester
- Propanedioicacid,(2-thienylmethyl)-,monomethyl ester (9CI)
- Monomethyl-2-(2-thienylmethyl)-malonate
- 3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid
- MDL： MFCD12964318
- Inchi： 1S/C9H10O4S/c1-13-9(12)7(8(10)11)5-6-3-2-4-14-6/h2-4,7H,5H2,1H3,(H,10,11)
- InChI Key： RXXLAMKEUHLEAN-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC(C(=O)O)C(=O)OC

Computed Properties

Exact Mass: 214.03000
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Heavy Atom Count: 14
Rotatable Bond Count: 5
Complexity: 229
Topological Polar Surface Area: 91.8

Experimental Properties

PSA: 91.84000
LogP: 1.16440

3-Methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic Acid Pricemore >>

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ChemScence	CS-M0776-250mg	3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid	122308-24-1		250mg	$106.0	2022-04-28
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