4-三正丁基锡基吡啶 | 124252-41-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-三正丁基锡基吡啶
• 中文别名: 4-三丁基锡吡啶；4-(三正丁基锡)吡啶
• 英文名称: (pyridin-4-yl)tributyltin
• 英文别名: 4-(tributylstannyl)pyridine；4-(tri-n-butylstannyl)pyridine；tributyl(4-pyridyl)stannane；tributyl(4-pyridyl)tin；4-(1,1,1-tributylstannyl)pyridine
• CAS: 124252-41-1
• 化学式: C₁₇H₃₁NSn
• 分子量: 368.15
• InChiKey: UNEPXPMBVGDXGH-UHFFFAOYSA-N

物化性质

• 熔点：
  243-246 °C
• 沸点：
  110-120 °C(Press: 0.1 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 危险等级：
  IRRITANT, KEEP COLD, TOXIC
• 危险品标志：
  Xi,T
• 危险类别码：
  R21,R25,R36/38,R48/23/25,R50/53
• 海关编码：
  2933399090
• 危险类别：
  6.1
• 储存条件：
  请保持冷饮。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Tributylstannyl)pyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
Causes serious eye irritation
H319:
H372: Causes damage to organs through prolonged or repeated exposure
H410: Very toxic to aquatic life with long lasting effects
P273: Avoid release to the environment
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P314: Get Medical advice/attention if you feel unwell

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(Tributylstannyl)pyridine
CAS number: 124252-41-1

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C17H31NSn
Molecular weight: 368.1

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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, 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
UN Number: UN2788 Class: 6.1 Packing group: III
Proper shipping name: ORGANOTIN COMPOUNDS, LIQUID, N.O.S. (4-(Tributylstannyl)pyridine)

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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：

  4-三正丁基锡基吡啶 在 copper(II) bis(trifluoromethanesulfonate) 、 四丁基二氟三苯硅酸铵 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以28%的产率得到4-氟吡啶
  参考文献：
  名称：

  铜介导的芳烃锡与氟化物的氧化氟化

  摘要：

  描述了一种使用三丁基二苯基硅酸四丁基铵和三氟甲磺酸铜（II）氧化芳基锡烷的区域特异性方法。该反应牢固，使用现成的试剂，并在温和的条件下（60°C，3.2 h）通过逐步操作进行。证明了宽泛的官能团耐受性，包括含有质子和亲核基团的芳烃。

  DOI：

  10.1021/acs.orglett.6b02125
• 作为产物：
  描述：

  三丁基氯化锡 、 4-溴吡啶 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-三正丁基锡基吡啶
  参考文献：
  名称：

  Stille和Suzuki交叉偶联反应作为修饰骨架的C-17的通用工具–综合研究

  摘要：

  本文中，我们报告了甾体乙烯基（假）卤化物与不同的硼酸和三丁基锡有机基的Stille和Suzuki交叉偶联的比较研究。此外，我们研究了那些交叉偶联反应的“逆向”情况，即类固醇乙烯基松香烷硼烷或三丁基锡类固醇与各种溴化物的反应。两种方法的发展都允许在类固醇骨架的C-17处引入不同的残基，从而提供了广泛的类固醇类似物的途径，这对于生物学筛选或天然产物合成非常重要。

  DOI：

  10.1002/adsc.201601289
• 作为试剂：
  描述：

  (3R,9aR)-3-[2-(3,5-bis(trifluoromethyl)-benzoyl)-7-trifluoromethanesulfonyloxy-1,3,4,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-ylmethyl]-indole-1-carboxylic acid tert-butyl ester 、 (3R,9aR)-3-[2-(3,5-bis(trifluoromethyl)benzoyl)-7-trifluoromethanesulfonyloxy-1,3,4,6,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl-methyl]-indole-1-carboxylic acid tert-butyl ester 在 四(三苯基膦)钯 4-三正丁基锡基吡啶 、 lithium chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 (3R,9aR)-3-[2-(3,5-bis(trifluoromethyl)-benzoyl)-7-pyridin-4-yl-1,3,4,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-ylmethyl]-indole-1-carboxylic acid tert-butyl ester 、 (3R,9aR)-3-[2-(3,5-bis(trifluoromethyl)-benzoyl)-7-pyridin-4-yl-1,3,4,6,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-ylmethyl]-indole-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Hexa-and octahydro-pyrido[1,2-a]pyrazine derivatives with NK1 antagonistic activity

  摘要：

  这项发明涉及具有有趣的神经激肽-NK1受体拮抗活性的六氢吡啶并[1,2-a]吡嗪衍生物。该发明还涉及制备这些化合物的方法，含有至少一种这些化合物作为活性成分的药物组合物，以及利用这些组合物治疗涉及神经激肽受体的疾病的用途。该发明涉及由通式（1）表示的化合物，其中符号的含义如描述中所述。

  公开号：

  US20050070548A1

文献信息

• [EN] PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS DE PYRIMIDINE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2010014939A1

  公开（公告）日：2010-02-04

  Disclosed are compounds of Formula I, including steroisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, that are useful in modulating PIKK related kinase signaling, e.g., mTOR, and for the treatment of diseases (e.g., cancer) that are mediated at least in part by the dysregulation of the PIKK signaling pathway (e.g., mTOR).

  揭示了公式I的化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和其药学上可接受的盐，这些化合物在调节PIKK相关激酶信号传导方面很有用，例如mTOR，并用于治疗至少部分由PIKK信号传导途径失调引起的疾病（例如癌症）。
• [EN] SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS<br/>[FR] COMPOSÉS TÉTRAHYDROISOQUINOLINES SUBSTITUÉS EN TANT QU'INHIBITEURS DU FACTEUR XIA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013055984A1

  公开（公告）日：2013-04-18

  The present invention provides compounds of Formula (I): or stereoisomers, pharmaceutically acceptable salts thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of factor XIa and/or plasma kallikrein which may be used as medicaments.

  本发明提供了化合物的公式(I)：或其立体异构体，以及其药学上可接受的盐，其中所有变量如本文所定义。这些化合物是XIa因子和/或血浆激肽酶的抑制剂，可用作药物。
• 2-Amino-quinazolin-5-ones
  申请人：Bellamacina R. Cornelia

  公开号：US20070027150A1

  公开（公告）日：2007-02-01

  2-Amino-quinazolin-5-one compounds, stereoisomers, tautomers, pharmaceutically acceptable salts, and prodrugs thereof; compositions that include a pharmaceutically acceptable carrier and one or more of the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent. Methods of using the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of cell proliferative diseases.

  2-氨基喹唑啉-5-酮化合物，立体异构体，互变异构体，药学上可接受的盐及其前药；包括药学上可接受的载体和一种或多种2-氨基喹唑啉-5-酮化合物的组合物，可以单独使用或与至少一种额外治疗剂结合使用。使用2-氨基喹唑啉-5-酮化合物的方法，可以单独使用或与至少一种额外治疗剂结合使用，用于预防或治疗细胞增殖性疾病。
• MTA-Cooperative PRMT5 Inhibitors
  申请人：Mirati Therapeutics, Inc.

  公开号：US20210078994A1

  公开（公告）日：2021-03-18

  The present invention relates to compounds that inhibit Protein Arginine N-Methyl Transferase 5 (PRMT5) activity. In particular, the present invention relates to compounds, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions of the present invention.

  本发明涉及抑制蛋白精氨酸N-甲基转移酶5（PRMT5）活性的化合物。具体而言，本发明涉及化合物、药物组合物和使用方法，例如使用本发明的化合物和药物组合物治疗癌症的方法。
• Substituted uracil derivatives as potent inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
  作者：Henning Steinhagen、Michael Gerisch、Joachim Mittendorf、Karl-Heinz Schlemmer、Barbara Albrecht

  DOI：10.1016/s0960-894x(02)00602-9

  日期：2002.11

  A new class of PARP-1 inhibitors, namely substituted fused uracil derivatives were synthesised. Starting from a derivative with an IC(50)=2microM the chemical optimisation program led to compounds with more than a 100-fold increase in potency (IC(50)<20nM). Additionally, physicochemical and pharmacokinetic properties were evaluated. It could be shown that compounds bearing a piperazine or phenyl substituted

  合成了一类新的PARP-1抑制剂，即取代的稠合尿嘧啶衍生物。从IC（50）= 2microM的衍生物开始，化学优化程序导致化合物的效力增加了100倍以上（IC（50）<20nM）。另外，评估了理化和药代动力学性质。可以证明带有哌嗪或苯基取代的βAla-Gly侧链的化合物表现出最佳的整体性能。