Description

Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate (CAS No. 261767-10-6) is a high-purity organic compound with the molecular formula C₁₁H₁₂O₄. This ester derivative of 2,3-dihydro-1,4-benzodioxine is a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate, and it is characterized by a benzo-fused dioxane ring system with an ethyl carboxylate functional group. The compound is supplied as a clear to pale yellow liquid or solid, depending on storage conditions, and should be stored under inert atmosphere at recommended temperatures to maintain stability. Suitable for use in organic synthesis, medicinal chemistry, and material science applications, this product is rigorously tested for purity (typically ≥95% by GC or HPLC) and is available in various packaging options to suit laboratory-scale needs.

Properties

• CAS Number: 261767-10-6
• Complexity: 229
• IUPAC Name: ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
• InChI: InChI=1S/C11H12O4/c1-2-13-11(12)8-4-3-5-9-10(8)15-7-6-14-9/h3-5H,2,6-7H2,1H3
• InChI Key: BAWCYPPHRYLPKS-UHFFFAOYSA-N
• Exact Mass: 208.07355886
• Molecular Formula: C11H12O4
• Molecular Weight: 208.21
• SMILES: CCOC(=O)C1=C2C(=CC=C1)OCCO2
• Topological: 44.8
• Monoisotopic Mass: 208.07355886
• Synonyms: 261767-10-6, Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate, 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester, ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate, MFCD12090273, SCHEMBL5212249, 2,3-dihydrobenzo[1,4]dioxin-5-carboxylic acid ethyl ester, BAWCYPPHRYLPKS-UHFFFAOYSA-N, ethyl 1,4-benzodioxan-5-carboxylate, AKOS008655297, DS-16635, DB-364347, CS-0085187, Ethyl2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate, Ethyl 2 pound not3-dihydrobenzo[b][1 pound not4]dioxine-5-carboxylate

Application

Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate serves as a key synthetic intermediate in the preparation of biologically active molecules, particularly in the development of central nervous system (CNS) pharmaceuticals. The benzodioxane scaffold is frequently employed in medicinal chemistry for its potential therapeutic properties. Researchers utilize this compound in the synthesis of analogs for serotonin receptor modulators and other neuroactive compounds. Its ester functionality allows for further derivatization via hydrolysis or transesterification reactions.

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