3-乙基-2,5-二氢噻吩-1,1-二氧化物 | 62157-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢噻吩类
• 中文名称: 3-乙基-2,5-二氢噻吩-1,1-二氧化物
• 英文名称: 3-ethyl-3-sulfolene
• 英文别名: 3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
• CAS: 62157-91-9
• 化学式: C₆H₁₀O₂S
• mdl: MFCD00005483
• 分子量: 146.21
• InChiKey: LQENBVCXBPWHIX-UHFFFAOYSA-N

物化性质

• 熔点：
  59-60 °C
• 沸点：
  299.7±29.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2934999090

SDS

Name:	3-Ethyl-2 5-dihydrothiophene-1 1-dioxide 98% Material Safety Data Sheet
Synonym:	None
CAS:	62157-91-9

Section 1 - Chemical Product MSDS Name:3-Ethyl-2 5-dihydrothiophene-1 1-dioxide 98% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
62157-91-9	3-Ethyl-2,5-dihydrothiophene-1,1-dioxi	98	263-440-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 62157-91-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 58.00 - 62.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C6H10O2S
Molecular Weight: 146.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 62157-91-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Ethyl-2,5-dihydrothiophene-1,1-dioxide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 62157-91-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62157-91-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62157-91-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-乙基-2,5-二氢噻吩-1,1-二氧化物 在 六甲基磷酰三胺 、 lithium aluminium tetrahydride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 6,7-benzo-2-ethyl-1,3,6-cyclooctatriene
  参考文献：
  名称：

  Dialkylative cyclization reactions of 3-sulfolenes with 1,3-diiodopropane and 1,2-bis(bromomethyl)benzene

  摘要：

  DOI：

  10.1021/jo00014a048
• 作为产物：
  描述：

  4-(1-hydroxyethyl)-2-sulfolene 在 lithium hydroxide 、 镍 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 3.25h， 生成 3-乙基-2,5-二氢噻吩-1,1-二氧化物
  参考文献：
  名称：

  Convenient synthesis of 3-[1-(phenylthio)alkyl]- and 3-alkyl-substituted 3-sulfolenes

  摘要：

  DOI：

  10.1021/jo00278a028

文献信息

• [EN] PROCESS FOR PREPARATION OF NEBIVOLOL AND IT'S SALTS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE NÉBIVOLOL ET DE SON SEL
  申请人：IPCA LABORATORIES LTD

  公开号：WO2016185492A1

  公开（公告）日：2016-11-24

  The present invention discloses a new process for preparation of Nebivolol or it's pharmaceutically acceptable salt. More particularly, the invention discloses an improved economical process for the preparation of intermediate, 6-fluoro-3,4- dihydro-2H-1-benzopyran-2-carboxaldehyde of Formula – II, converting the 6- fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxaldehyde of Formula – II into mixture of [R*(S*)]-6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran and [R*(R*)]-6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran of Formula-V and separation of diastereomers of (R*)-6-Fluoro-3,4-dihydro-2-((S*)-oxiran-2-yl)- 2H-benzopran by forming azeotrope.

  本发明公开了一种制备尼比洛尔或其药用可接受盐的新工艺。更具体地，该发明公开了一种改进的经济型工艺，用于制备中间体6-氟-3,4-二氢-2H-1-苯并吡喃-2-甲醛（化学式II），将化学式II中的6-氟-3,4-二氢-2H-1-苯并吡喃-2-甲醛转化为化学式V中的[R*(S*)]-6-氟-3,4-二氢-2-氧环丙基-2H-1-苯并吡喃和[R*(R*)]-6-氟-3,4-二氢-2-氧环丙基-2H-1-苯并吡喃的混合物，并通过形成共沸物分离(R*)-6-氟-3,4-二氢-2-((S*)-环氧丙烷基)-2H-苯并吡喃的对映体。
• A curable fluoroelastomer composition
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0182299A2

  公开（公告）日：1986-05-28

  A curable fluoroelastomer composition comprising: (a) a fluoroelastomeric copolymer of vinylidene fluoride and at least one other fluorinated monomer; (b) a curing accelerator comprising an iminium compound of the formula wherein R1 is a substituted or unsubstituted aryl group, R2 is an alkyl or halogenated alkyl group, a cycloalkyl or halogenated cycloalkyl group, or a substituted or unsubstituted aralkyl group, and X is a halogen atom; (c) a polyhydroxy compound as a cross-linking agent; and (d) a metal compound selected from a divalent metal hydroxide, a divalent metal oxide or a mixture thereof.

  一种可固化的氟橡胶组合物，包括：(a) 亚氟乙烯和至少一种其他氟化单体的氟橡胶共聚物；(b) 一种固化促进剂，包括式中的亚氨基化合物，其中 R1 是取代或未取代的芳基，R2 是烷基或卤代烷基、环烷基或卤代环烷基或取代或未取代的芳基，X 是卤原子；(c) 一种作为交联剂的多羟基化合物；以及 (d) 一种选自二价氢氧化金属、二价氧化金属或其混合物的金属化合物。
• Scorch-resistant, curable fluorinated elastomer
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0278780A1

  公开（公告）日：1988-08-17

  A scorch-resistant, curable, fluorinated elastomer gum composition is provided. A free-radically curable, fluorinated elastomer gum is compounded with an aliphatically unsaturated, diorganosulfur compound in which at least one of the organo moieties contains a β,γ-aliphatically unsaturated moiety having at least one hydrogen atom bonded to the α carbon atom of said moiety, said carbon atom being bonded to a sulfur atom of the compound. The diorganosulfur compound reduces the tendency of the compounded fluorinated elastomers gum to scorch, i.e. begin curing prematurely, in the presence of a free-radical curing agent during compounding and shaping of the gum at elevated temperatures below the intended cure temperature. Specific examples of said compounds include 2,5-dihydro­thiophene-1,1-dioxide, 2,5-dihydrothiophene-1-oxide, and diallylsulfide. Methods of compounding a fluorinated elastomer gum composition and of shaping and curing such a composition to obtain a fluorinated elastomeric article are also provided.

  本发明提供了一种耐焦烧、可固化的含氟弹性体胶组合物。一种可自由辐射固化的含氟弹性体胶与一种脂肪族不饱和的二甘醇硫化合物复合，其中至少一个有机分子含有一个β,γ-脂肪族不饱和分子，该分子至少有一个氢原子与所述分子的α碳原子结合，所述碳原子与化合物的硫原子结合。在低于预定固化温度的高温下进行胶料的复合和成型过程中，二硫化甘油化合物可降低复合氟化弹性体胶料在自由基固化剂存在下的焦烧倾向，即过早开始固化。上述化合物的具体例子包括 2,5-二氢噻吩-1,1-二氧化物、2,5-二氢噻吩-1-氧化物和二烯丙基硫醚。此外，还提供了氟化弹性体胶组合物的复合方法，以及对这种组合物进行成型和固化以获得氟化弹性体制品的方法。
• Process for producing sulfolane compounds
  申请人：PHILLIPS PETROLEUM COMPANY

  公开号：EP0620219A1

  公开（公告）日：1994-10-19

  A process for producing sulfolane compounds is provided which comprises: (1) contacting a conjugated diene with sulfur dioxide under conditions sufficient to synthesize a sulfolene compound whereby a mixture of the sulfolene compound and impurities comprising unreacted sulfur dioxide is produced; (2) transferring the mixture, at a temperature in the range of about 55°C to about 85°C, to an impurities removal reactor containing a solvent; (3) removing the impurities under an elevated pressure to produce an impurities-reduced sulfolene compound; (4) transferring the impurities-reduced sulfolene compound to a hydrogenation reactor; (5) contacting said impurities-reduced sulfolene compound with hydrogen, in the presence of a hydrogenation catalyst, under conditions sufficient to produce a sulfolane compound; and (6) optionally recovering said sulfolane compound.

  本发明提供了一种生产砜类化合物的工艺，该工艺包括(1) 在足以合成砜类化合物的条件下，使共轭二烯与二氧化硫接触，从而产生砜类化合物和包含未反应二氧化硫的杂质的混合物；(2) 在约 55°C 至约 85°C 的温度范围内，将混合物转移到含有溶剂的杂质去除反应器中；(3) 在高压下除去杂质，生成杂质还原型亚硫酰化合物； (4) 将杂质还原型亚硫酰化合物转移到氢化反应器中； (5) 在氢化催化剂存在的条件下，使所述杂质还原型亚硫酰化合物与氢接触，足以生成亚硫酰化合物；以及 (6) 可选地回收所述亚硫酰化合物。
• Procatalysts, catalyst systems, and use in olefin polymerization
  申请人：——

  公开号：US20010025005A1

  公开（公告）日：2001-09-27

  There are described solid procatalysts, catalyst systems incorporating the solid procatalysts, and the use of the catalyst systems in olefin polymerization and interpolymerization.

  本文介绍了固体原催化剂、含有固体原催化剂的催化剂体系以及催化剂体系在烯烃聚合和互聚中的应用。

表征谱图