2H-硫杂环丁烯 1,1-二氧化物 | 7285-32-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 2H-硫杂环丁烯 1,1-二氧化物
• 中文别名: 2H-硫杂环丁烯1,1-二氧化物
• 英文名称: 2H-thiete 1,1-dioxide
• 英文别名: Thiete 1,1-dioxide；thiet 1,1-dioxide；thietedioxide；2H-thiete 1,1-dioxide；thiete S,S-dioxide；2H-Thiete-1,1-dioxide
• CAS: 7285-32-7
• 化学式: C₃H₄O₂S
• 分子量: 104.13
• InChiKey: SYHFISYHXDUGDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2H-Thiete 1,1-dioxide
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2H-Thiete 1,1-dioxide
CAS number: 7285-32-7

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C3H4O2S
Molecular weight: 104.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2H-硫杂环丁烯 1,1-二氧化物 在 溴 作用下， 以 四氯化碳 为溶剂， 反应 6.0h， 以67%的产率得到2,3-Dibromothietane 1,1-dioxide
  参考文献：
  名称：

  Reactions of 3-chloro-2H-thiete 1,1-dioxide

  摘要：

  DOI：

  10.1021/jo00187a021
• 作为产物：
  描述：

  3-氯硫杂环丁烷-1,1-二氧化物 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以4.8 g的产率得到2H-硫杂环丁烯 1,1-二氧化物
  参考文献：
  名称：

  THIETE 1,1-DIOXIDE AND 3-CHLOROTHIETE 1,1-DIOXIDE

  摘要：

  DOI：

  10.15227/orgsyn.062.0210

文献信息

• A Practical Route to Cyclobutanols and Fluorocyclobutanes
  作者：Vincent L. Revil‐Baudard、Samir Z. Zard

  DOI：10.1002/hlca.202100106

  日期：2021.9

  1-[(Ethoxycarbonothioyl)sulfanyl]cyclobutyl acetate (xanthate 7) was found to add to electronically unbiased alkenes and to certain heteroarenes. In the latter case, this corresponds to a variant of the Minisci reaction and allows the late-stage modification of biologically active substances. Saponification of the acetate furnishes the corresponding cyclobutanols, which, in the case of the nicotine

  发现 1-[(乙氧基碳硫酰基) 硫烷基] 环丁基乙酸酯 (黄原酸酯7 ) 添加到电子无偏烯烃和某些杂芳烃。在后一种情况下，这对应于Minisci反应的变体，并允许对生物活性物质进行后期修饰。乙酸盐的皂化提供相应的环丁醇，在尼古丁加合物的情况下，可以通过 DAST 的作用将其转化为氟环丁烷。氟环丁基取代的芳烃和杂芳烃越来越多地出现在候选药物中。用 TFA 加热咖啡因的乙酰氧基环丁基衍生物产生环丁烯类似物。最后，O-乙基S-[1-(2,2,2-三氟乙氧基)环丁基]二硫代碳酸酯，在优化黄原酸酯7的合成时意外获得，是一种非常有前途的试剂，用于引入非常罕见的 2,2,2-三氟乙氧基环丁基基序。
• Bicyclic Pyrrolidines for Medicinal Chemistry via [3 + 2]-Cycloaddition
  作者：Vladimir I. Savych、Vladimir L. Mykhalchuk、Pavlo V. Melnychuk、Andrii O. Isakov、Taras Savchuk、Vadim M. Timoshenko、Sergiy A. Siry、Sergiy O. Pavlenko、Dmytro V. Kovalenko、Oleksandr V. Hryshchuk、Vitalii A. Reznik、Bohdan A. Chalyk、Vladimir S. Yarmolchuk、Eduard B. Rusanov、Pavel K. Mykhailiuk

  DOI：10.1021/acs.joc.1c01327

  日期：2021.10.1

  A general approach to bicyclic fused pyrrolidines via [3 + 2]-cycloaddition between nonstabilized azomethyne ylide and endocyclic electron-deficient alkenes was elaborated. “Push–pull” alkenes and CF3-alkenes did not react with the azomethyne ylide under the previously reported conditions, and we developed a superior protocol (LiF, 140 °C, no solvent). Among obtained products were medchem-relevant

  详细阐述了通过不稳定的偶氮甲炔叶立德和环内缺电子烯烃之间的 [3 + 2]-环加成来制备双环稠合吡咯烷的一般方法。在先前报道的条件下，“推拉”烯烃和 CF 3 -烯烃不与偶氮甲炔叶立德反应，我们开发了一种优越的方案（LiF，140 °C，无溶剂）。获得的产品包括与医药相关的双环砜、单氟、二氟和三氟甲基取代的吡咯烷。这种方法不仅允许制备新分子，而且显着简化了现有分子（例如，sofnicline）的合成。
• Thermolysis of thiete 1,1-dioxide and related species
  作者：J. F. King、P. de Mayo、C. L. McIntosh、K. Piers、David J. H. Smith

  DOI：10.1139/v70-619

  日期：1970.12.1

  Thiete 1,1-dioxide (1) rearranges to 5H-1,2-oxathiole-2-oxide (3) on heating in solution or in the vapor phase. The presence of phenol in the solution leads to formation of phenyl 2-propene-1-sulfo...

  Thiete 1,1-二氧化物 (1) 在溶液或蒸气相中加热时重排为 5H-1,2-oxathiole-2-oxide (3)。溶液中苯酚的存在导致苯基 2-propene-1-sulfo...
• A Versatile Route to Acyl (MIDA)Boronates
  作者：Hui Qiao、Jean Michalland、Qi Huang、Samir Z. Zard

  DOI：10.1002/chem.202302235

  日期：2023.10.18

  Exploiting the reactivity of the novel acetyl (MiDA)boronate radical allows access to a broad range of acyl (MIDA)boronates, which in suitable cases can be converted into B(MIDA) substituted furans and pyrroles.

  利用新型乙酰基 (MiDA) 硼酸酯自由基的反应性，可以获得多种酰基 (MIDA) 硼酸酯，在合适的情况下，这些酰基 (MIDA) 硼酸酯可以转化为 B(MIDA) 取代的呋喃和吡咯。
• Efficient Syntheses of Thietanes and Thiete 1,1-Dioxide using Phase-Transfer Catalysis
  作者：Michael Lancaster、David J. H. Smith

  DOI：10.1055/s-1982-29867

  日期：——

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