Cas no 918328-04-8 (Ethyl 4-bromo-2-(methylthio)benzoate)

Ethyl 4-bromo-2-(methylthio)benzoate is a brominated aromatic ester featuring a methylthio substituent at the ortho position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromo and methylthio functional groups enhances its reactivity, enabling selective cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination. Its ester moiety further allows for derivatization via hydrolysis or transesterification. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined structure and high purity make it a reliable building block for complex molecular frameworks in medicinal and materials chemistry research.

Ethyl 4-bromo-2-(methylthio)benzoate structure

918328-04-8 structure

Product Name:Ethyl 4-bromo-2-(methylthio)benzoate

CAS No:918328-04-8

MF:C₁₀H₁₁BrO₂S

MW:275.162141084671

CID:777819

Update Time:2025-05-27

Ethyl 4-bromo-2-(methylthio)benzoate Chemical and Physical Properties

Names and Identifiers

- Benzoic acid, 4-bromo-2-(methylthio)-, ethyl ester
- ethyl 4-bromo-2-methylsulfanylbenzoate
- ethyl 4-bromo-2-(methylthio)benzoate
- Ethyl 4-bromo-2-(methylsulfanyl)benzoate
- Ethyl 4-bromo-2-(methylthio)benzoate
- Inchi： 1S/C10H11BrO2S/c1-3-13-10(12)8-5-4-7(11)6-9(8)14-2/h4-6H,3H2,1-2H3
- InChI Key： JJERLBBYFKGTCE-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(=O)OCC)=C(C=1)SC

Computed Properties

Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 14
Rotatable Bond Count: 4
Complexity: 199
Topological Polar Surface Area: 51.6

Ethyl 4-bromo-2-(methylthio)benzoate Pricemore >>

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Apollo Scientific	OR71003-500mg	Ethyl 4-bromo-2-methylsulfanylbenzoate	918328-04-8	97%	500mg	￡384.00	2025-02-20
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