Ethyl 1,3-Dithiane-2-Carboxylate 1,3-二噻烷-2-甲酸乙酯
CAS 20462-00-4 MFCD00006657
化学结构图
SMILES: CCOC(=O)C1SCCCS1
化学属性
| Mol. Formula | C7H12O2S2 |
|---|---|
| Mol. Weight | 192 |
| Refractive index | 1.5390 to 1.5410 |
| Boiling Point | 75-77 |
| Density | 1.22 |
| Flash Point | 55°C(lit.) |
| TSCA | No |
| Melting Point | 19-21° |
| pH | :A |
别名和识别编码
| Chemical Name | Ethyl 1,3-Dithiane-2-Carboxylate |
|---|---|
| Synonym | 2-Carboethoxy-1,3-dithiane 1,3-二噻烷-2-甲酸乙酯 乙醛酸乙酯三亚甲基缩硫醛 2-Carboethoxy-1,3-dithiane, Glyoxylic acid ethyl ester trimethylenemercaptal |
| CAS Number | 20462-00-4 |
| PubChem Substance ID | 87568125 |
| EC Number | 243-838-4 |
| Beilstein Registry Number | 1424352 |
| MDL Number | MFCD00006657 |
| Chemical Name Translation | 1,3-二噻烷-2-甲酸乙酯 |
| Reaxys-RN | 1424352 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
- Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
相关文献及参考
- 1. E.E. Eliel, A.A. Hartman J. Org. Chem. 37 , 505, (1972)
- 2. G.S. Bates, S. Ramaswamy Can. J. Chem. 56 , 716, (1980)
- 3. M. Lissel Synth. Commun. 11 , 343, (1981)
- 4. L.A. Flippin, M.A. Dombroski Tetrahedron Lett. 26 , 2977, (1985)
- Beil. 19 ,V,7,227
- Aldrich MSDS 1 , 901:D / Corp MSDS 1 (1), 1602:B / FT-IR 2 (1), 1146:C / FT-IR 1 (1), 676:C / NMR-Reference 2 (1), 566:B / RegBook 1 (1), 783:I / Structure Index 1 , 122:B:6 / Vapor Phase 3 , 739:D
- Alkylation of the anion provides a route to ɑ-keto acids (by dethioketalization with NBS), or to substituted acetic acids (by desulfurization): J. Org. Chem., 37, 505 (1972). For phase-transfer alkylation using allylic bromides, see: Liebigs Ann. Chem., 1589 (1982). With crotyl bromide, approx. 95% allylic rearrangement occurs.
- The lithiated derivative undergoes 1,4- (Michael) addition to a variety of ɑß-unsaturated compounds. However, the Mg derivative prepared by metallation with an alkylmagnesium halide gives an allylic alcohol by 1,2-addition: Chem. Ber., 114, 2924 (1981).
安全信息
GHS Symbol
- H226 Flammable liquid and vapour 易燃液体和蒸气
- R10 Flammable 易燃
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- P403+P235
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P303+P361+P353
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P233 Keep container tightly closed. ?保持容器密闭。
- P241+P242+P243
