4-(噻唑-2-基)吗啉 | 21429-06-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(噻唑-2-基)吗啉
• 中文别名: 2-吗啉基噻唑
• 英文名称: 2-morpholinothiazole
• 英文别名: 4-(thiazol-2-yl)morpholine；2-Morpholino-thiazol；4-(1,3-thiazol-2-yl)morpholine
• CAS: 21429-06-1
• 化学式: C₇H₁₀N₂OS
• mdl: MFCD08052659
• 分子量: 170.235
• InChiKey: QHSGLIXDBAERBR-UHFFFAOYSA-N

物化性质

• 熔点：
  46℃
• 沸点：
  291℃
• 密度：
  1.256
• 闪点：
  130℃

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  53.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 储存条件：
  存放在室温、密封且干燥的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Morpholinothiazole
Synonyms: 4-(1,3-Thiazol-2-yl)morpholine

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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: 2-Morpholinothiazole
CAS number: 21429-06-1

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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.

---

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: C7H10N2OS
Molecular weight: 170.2

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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, nitrogen oxides, 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.

---

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：

  4-(噻唑-2-基)吗啉 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以84%的产率得到4-(5-Iodo-1,3-thiazol-2-yl)morpholine
  参考文献：
  名称：

  正交刺激下的开关：双（噻唑基）马来酰亚胺的电化学闭环和光化学开环†

  摘要：

  已经研究了新型供体-受体双（吗啉代噻唑基）-马来酰亚胺的光化学以及电化学。这些二芳基乙烯类型的分子开关的正确取代导致独特的情况，其中它们的闭环只能通过电化学方式完成，而开环只能通过光化学方式实现。因此，这些开关在正交刺激下运行，即氧化还原电位和光。可以通过在反应性碳原子上引入三氟甲基来优化开关系统，以避免在氧化闭环过程中形成副产物。研究了甲基化，三氟甲基化和非对称双（吗啉代噻唑基）马来酰亚胺以及双（吗啉代噻唑基）环戊烯参考化合物的光化学和电化学途径。借助非对称“混合”导数，可以阐明电化学驱动的闭环机理，并且似乎可以通过通过两次氧化生成的双效中间体。所有实验工作都得到了密度泛函理论的补充，该理论提供了对开环和闭环形式的热力学，其激发态的性质以及它们在不同电子构型下的中性和离子化物种的反应性的详细见解。本文所述的特定二芳基乙烯系统可用于由不同刺激（输入）操作的多功能（逻辑）设备中，并可为通过光

  DOI：

  10.1039/c2sc21681g
• 作为产物：
  描述：

  4-吗啉硫代甲酰胺 、 2-溴-1,1-二乙氧基乙烷 在 对甲苯磺酸 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以97%的产率得到4-(噻唑-2-基)吗啉
  参考文献：
  名称：

  正交刺激下的开关：双（噻唑基）马来酰亚胺的电化学闭环和光化学开环†

  摘要：

  已经研究了新型供体-受体双（吗啉代噻唑基）-马来酰亚胺的光化学以及电化学。这些二芳基乙烯类型的分子开关的正确取代导致独特的情况，其中它们的闭环只能通过电化学方式完成，而开环只能通过光化学方式实现。因此，这些开关在正交刺激下运行，即氧化还原电位和光。可以通过在反应性碳原子上引入三氟甲基来优化开关系统，以避免在氧化闭环过程中形成副产物。研究了甲基化，三氟甲基化和非对称双（吗啉代噻唑基）马来酰亚胺以及双（吗啉代噻唑基）环戊烯参考化合物的光化学和电化学途径。借助非对称“混合”导数，可以阐明电化学驱动的闭环机理，并且似乎可以通过通过两次氧化生成的双效中间体。所有实验工作都得到了密度泛函理论的补充，该理论提供了对开环和闭环形式的热力学，其激发态的性质以及它们在不同电子构型下的中性和离子化物种的反应性的详细见解。本文所述的特定二芳基乙烯系统可用于由不同刺激（输入）操作的多功能（逻辑）设备中，并可为通过光

  DOI：

  10.1039/c2sc21681g

文献信息

• MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS
  申请人：Macdonald Gregor James

  公开号：US20120238561A1

  公开（公告）日：2012-09-20

  The present invention relates to morpholinothiazole derivatives and pharmaceutically acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to positive allosteric modulators of nicotinic acetylcholine receptors, such positive allosteric modulators having the capability to increase the efficacy of nicotinic receptor agonists.

  本发明涉及吗啉噻唑衍生物及其可药用盐，它们的制备方法，含有它们的药物组合物及其在治疗中的用途。特别是涉及烟酸乙酰胆碱受体的正变构调节剂，这些正变构调节剂具有增加烟酸受体激动剂效力的能力。
• [EN] MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MORPHOLINOTHIAZOLES EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS D'ALPHA 7
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2011064288A1

  公开（公告）日：2011-06-03

  The present invention relates to morpholinothiazole derivatives and pharmaceutically acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to positive allosteric modulators of nicotinic acetylcholine receptors, such positive allosteric modulators having the capability to increase the efficacy of nicotinic receptor agonists.

  本发明涉及吗啉噻唑衍生物及其可药用盐，它们的制备方法，含有它们的药物组合物及其在治疗中的用途。本发明特别涉及烟酸乙酰胆碱受体的正变构调节剂，这些正变构调节剂具有增加烟酸受体激动剂效力的能力。
• Copper-Catalyzed Electrophilic Amination of Heteroarenes and Arenes by CH Zincation
  作者：Stacey L. McDonald、Charles E. Hendrick、Qiu Wang

  DOI：10.1002/anie.201311029

  日期：2014.4.25

  Direct amination of heteroarenes and arenes has been achieved in a one‐pot CH zincation/copper‐catalyzed electrophilic amination procedure. This amination method provides an efficient and rapid approach to access a diverse range of heteroaromatic and aromatic amines including those previously inaccessible using CH amination methods. The mild reaction conditions and good functional‐group compatibility

  杂芳烃和芳烃的直接胺化已经在一锅C - H锌化/铜催化的亲电胺化过程中实现。这种胺化方法提供了一种高效、快速的方法来获得各种杂芳胺和芳香胺，包括以前使用 C - H 胺化方法无法获得的胺。温和的反应条件和良好的官能团相容性证明了其在合成重要且复杂的胺类方面的巨大潜力。
• Fused pyridine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US06340759B1

  公开（公告）日：2002-01-22

  The present provides a condensed pyridine compound (I) represented by the following formula: (wherein, R2 represents ring A represents benzene ring, pyridine ring, thiophene ring or furan ring; and B represents its pharmaceutically acceptable salt or hydrates thereof, which is a clinically useful medicament having a serotonin antagonism, in particular, that for treating, ameliorating or preventing spastic paralysis or central muscle relaxants for ameliorating myotonia.

  目前提供了一种由以下公式表示的缩合吡啶化合物（I）： （其中，R2代表环A代表苯环、吡啶环、噻吩环或呋喃环；B代表其药学上可接受的盐或其水合物，是一种具有血清素拮抗作用的临床上有用的药物，特别用于治疗、改善或预防痉挛性麻痹或改善肌张力过高的中枢肌肉松弛剂。
• Solid Supported Nano Structured Cu-Catalyst for Solvent/Ligand Free C₂Amination of Azoles
  作者：Pratip Kumar Dutta、Subhabrata Sen、Debasree Saha、Basabbijayi Dhar

  DOI：10.1002/ejoc.201701669

  日期：2018.2.7

  A titanium oxide encapsulated recyclable cuprous iodide nanocatalyst that promotes amination of azoles is reported.

  报道了促进唑类胺化的氧化钛包封的可循环使用的碘化亚铜纳米催化剂。