43749

Ethyl 1,3-dithiane-2-carboxylate

technical, ≥90% (GC)

• Sinônimo(s): Glyoxylic acid ethyl ester trimethylenemercaptal
• Fórmula empírica (Notação de Hill): C₇H₁₂O₂S₂
• Número CAS: 20462-00-4
• Peso molecular: 192.30
• Beilstein: 1424352
• Número CE: 243-838-4
• Número MDL: MFCD00006657
• Código UNSPSC: 12352100
• ID de substância PubChem: 24867377
• NACRES: NA.22

Propriedades

• grau: technical
• Ensaio: ≥90% (GC)
• índice de refração: n20/D 1.539 (lit.); n20/D 1.541
• pb: 75-77 °C/0.2 mmHg (lit.)
• densidade: 1.22 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: CCOC(=O)C1SCCCS1
• InChI: 1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
• chave InChI: ANEDZEVDORCLPM-UHFFFAOYSA-N

Descrição

Descrição geral

Ethyl 1,3-dithiane-2-carboxylate is an α-keto acid equivalent and bulky equivalent of acetate. It participates in syn-selective aldol reactions. It can be prepared from the reaction of ethyl diethoxyacetate and 1,3-propanedithiol in the presence of BF₃/Et₂O. Asymmetric oxidation of ethyl 1,3-dithiane-2-carboxylate by Modena protocol has been reported to afford trans bis-sulfoxide in 60% yield. Carbanion from ethyl 1,3-dithiane-2-carboxylate may be employed for the preparation of α-keto esters.

Informações de segurança

• Pictogramas: GHS02
• Palavra indicadora: Warning
• Frases de perigo: H226
• Classificações de perigo: Flam. Liq. 3
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 131.0 °F - closed cup
• Ponto de fulgor (°C): 55 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter