Cas no 74598-04-2 (Ethyl 5-chloro-4-methylthiophene-2-carboxylate)

Ethyl 5-chloro-4-methylthiophene-2-carboxylate is a versatile heterocyclic compound featuring a thiophene backbone substituted with chloro and methyl groups at the 5- and 4-positions, respectively, and an ester functional group at the 2-position. This structure imparts reactivity suitable for further derivatization, making it a valuable intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The chloro and methyl substituents enhance its utility in cross-coupling reactions, while the ester group allows for facile hydrolysis or transesterification. Its stability under standard conditions and well-defined reactivity profile make it a reliable building block for constructing complex thiophene-based molecules.

Ethyl 5-chloro-4-methylthiophene-2-carboxylate structure

74598-04-2 structure

Product Name:Ethyl 5-chloro-4-methylthiophene-2-carboxylate

CAS No:74598-04-2

MF:C₈H₉ClO₂S

MW:204.673860311508

CID:1023731

PubChem ID:12605958

Update Time:2025-10-29

Ethyl 5-chloro-4-methylthiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

- Ethyl 5-chloro-4-methylthiophene-2-carboxylate
- 5-chloro-4-methyl-2-Thiophenecarboxylic acid ethyl ester
- Ethyl5-chloro-4-methylthiophene-2-carboxylate
- AMY36672
- 74598-04-2
- CS-0188427
- E76161
- XZTXAKUKHNXJQJ-UHFFFAOYSA-N
- BS-49636
- EN300-7491961
- FT-0739278
- SCHEMBL8629934
- DTXSID90504188
- DB-074854
- 5-CHLORO-4-METHYL-2-THIOPHENE CARBOXYLIC ACID ETHYL ESTER
- Inchi： 1S/C8H9ClO2S/c1-3-11-8(10)6-4-5(2)7(9)12-6/h4H,3H2,1-2H3
- InChI Key： XZTXAKUKHNXJQJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=C(C(=O)OCC)S1

Computed Properties

Exact Mass: 204.0011784g/mol
Monoisotopic Mass: 204.0011784g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 3
Complexity: 174
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: 3.5
Topological Polar Surface Area: 54.5?2

Ethyl 5-chloro-4-methylthiophene-2-carboxylate Pricemore >>

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