2-甲酰基-4-(三丁基锡烷基)噻唑 | 231278-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲酰基-4-(三丁基锡烷基)噻唑
• 英文名称: 4-(tributylstannanyl)-1,3-thiazole-2-carbaldehyde
• 英文别名: 4-(tributylstannyl)thiazole-2-carbaldehyde；4-tributylstannylthiazole-2-carbaldehyde；4-(tributylstannyl)-thiazol-2-carbaldehyde；2-Formyl-4-(tributylstannyl)thiazole；4-tributylstannyl-1,3-thiazole-2-carbaldehyde
• CAS: 231278-14-1
• 化学式: C₁₆H₂₉NOSSn
• 分子量: 402.188
• InChiKey: SWNXZUKRZWHDGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  T
• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Formyl-4-(tributylstannyl)thiazole
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: 2-Formyl-4-(tributylstannyl)thiazole
CAS number: 231278-14-1

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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, refrigerated.
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: C16H29NOSSn
Molecular weight: 402.2

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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.

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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：

  2-甲酰基-4-(三丁基锡烷基)噻唑 在 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 以82%的产率得到tributyl-[2-(difluoromethyl)thiazol-4-yl]stannane
  参考文献：
  名称：

  [EN] HETEROARYL SYK INHIBITORS
  [FR] INHIBITEURS DE SYK DE TYPE HÉTÉROARYLE

  摘要：

  该发明涉及新的取代杂环芳基的化合物，其化学式为（1），其中A选自N和CH组成的群，D选自S和O组成的群，E为C，T为C，G为C，环1中的每个断裂（虚线）双键选自单键或双键，条件是环1的所有单键和双键排列方式使它们与环2一起形成芳香环系统，R1、M和R3根据权利要求1定义，以及上述化合物用于治疗从哮喘、慢性阻塞性肺病、过敏性鼻炎、过敏性皮炎、红斑狼疮、红斑狼疮性肾炎和类风湿性关节炎等疾病。

  公开号：

  WO2015140054A1
• 作为产物：
  描述：

  N-甲酰吗啉 、 2-Bromo-4-(tributylstannyl)thiazole 在 叔丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 1.17h， 以86%的产率得到2-甲酰基-4-(三丁基锡烷基)噻唑
  参考文献：
  名称：

  Compounds and Methods of Treatment

  摘要：

  本文描述了一种作为Ret酪氨酸激酶抑制剂有用的衍生物。所述发明还包括使用相同物质治疗由不当的Ret酪氨酸激酶活性介导的疾病的方法。

  公开号：

  US20080234267A1

文献信息

• Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors
  申请人：Novartis AG

  公开号：US09199973B2

  公开（公告）日：2015-12-01

  A pharmaceutical formulation comprising the compound of formula

  一种药物制剂，包括以下公式的化合物
• The discovery of substituted 4-(3-hydroxyanilino)-quinolines as potent RET kinase inhibitors
  作者：R. Graham Robinett、Alex J. Freemerman、Michael A. Skinner、Lisa Shewchuk、Karen Lackey

  DOI：10.1016/j.bmcl.2007.07.104

  日期：2007.11

  4-(3-hydroxyanilino)-quinoline compounds, initially identified as small-molecule inhibitors of src family kinases, have been evaluated as potential inhibitors of RET kinase. Three compounds, 38, 31, and 40, had K(i)'s of 3, 25, and 50 nM in an in vitro kinase assay; while a cell based kinase assay showed K(i)'s of 300, 100, and 45 nM, respectively. These compounds represent potential new leads for the treatment

  最初被鉴定为src家族激酶的小分子抑制剂的取代的4-（3-羟基苯胺基）-喹啉化合物已被评估为RET激酶的潜在抑制剂。在体外激酶测定中，三种化合物38、31和40的K（i）分别为3、25和50 nM。而基于细胞的激酶测定表明K（i）分别为300、100和45 nM。这些化合物代表了治疗甲状腺髓样和乳头状癌的潜在新线索。
• Heterocyclic compounds
  申请人：——

  公开号：US20030176451A1

  公开（公告）日：2003-09-18

  A process for the preparation of a compound of formula (I) 1 comprising the steps: (a) reacting a compound of formula (II) 2 wherein L and L′ are suitable leaving groups, with a compound of formula (III) UNH 2 (III) to prepare a compound of formula (IV) 3 and subsequently (b) substituting the group R 1 by replacement of the leaving group L′.

  一种制备式（I）化合物的方法，包括以下步骤：（a）将式（II）化合物2与式（III）UNH2（III）反应，其中L和L'是适当的离去基团，以制备式（IV）化合物3，随后（b）通过取代离去基团L'来替换R1基团。
• HETEROCYCLIC COMPOUNDS
  申请人：CARTER Clive Malcolm

  公开号：US20070238875A1

  公开（公告）日：2007-10-11

  A process for the preparation of a compound of formula (I) comprising the steps: (a) reacting a compound of formula (II) wherein L and L′ are suitable leaving groups, with a compound of formula (III) UNH 2 (III) to prepare a compound of formula (IV) and subsequently (b) substituting the group R 1 by replacement of the leaving group L′.

  一种制备式（I）化合物的过程，包括以下步骤：(a)反应式（II）化合物，其中L和L'是适当的离去基团，与式（III）化合物UNH2（III）反应，制备式（IV）化合物，然后(b)通过取代离去基团L'来替换R1基团。
• Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US20130310562A1

  公开（公告）日：2013-11-21

  A pharmaceutical formulation comprising the compound of formula

  一种药物制剂，包括化学式化合物。