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

20462-00-4
SMILES: CCOC(=O)C1SCCCS1

化学属性

Mol. FormulaC7H12O2S2
Mol. Weight192
Refractive index1.5390 to 1.5410
Boiling Point75-77
Density1.22
Flash Point55°C(lit.)
TSCANo
Melting Point19-21°
pH:A

别名和识别编码

Chemical NameEthyl 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 Number20462-00-4
PubChem Substance ID87568125
EC Number243-838-4
Beilstein Registry Number1424352
MDL NumberMFCD00006657
Chemical Name Translation1,3-二噻烷-2-甲酸乙酯
Reaxys-RN1424352
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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
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Packing GroupIII
UN Number 3272 1993
Risk Statements
  • R10 Flammable 易燃
Safety Statements
  • 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);
Hazard Class3
Precautionary statements
  • 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
Hazard Codes 3

系列性分类


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