3-甲氧基-2-(三丁基锡烷基)吡啶 | 1094072-15-7

• 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 - 有机氧化合物
• 中文名称: 3-甲氧基-2-(三丁基锡烷基)吡啶
• 英文名称: 3-methoxy-2-(tributylstannyl)pyridine
• 英文别名: tributyl-(3-methoxypyridin-2-yl)stannane
• CAS: 1094072-15-7
• 化学式: C₁₈H₃₃NOSn
• 分子量: 398.176
• InChiKey: CQLCSQRUZHMOIB-UHFFFAOYSA-N

物化性质

• 沸点：
  414.8±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.15
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Methoxy-2-(tributylstannyl)pyridine
Synonyms:

---

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
H319: Causes serious eye irritation
H372: Causes damage to organs through prolonged or repeated exposure
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
P280: Wear protective gloves/protective clothing/eye protection/face protection
Avoid release to the environment
P273:
IF exposed or you feel unwell:
P309:
P310: Immediately call a POISON CENTER or doctor/physician

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Methoxy-2-(tributylstannyl)pyridine
CAS number: 1094072-15-7

---

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.

---

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.

---

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.

---

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.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C18H33NOSn
Molecular weight: 398.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
UN Number: UN2788 Class: 6.1 Packing group: III
Proper shipping name: ORGANOTIN COMPOUNDS, LIQUID, N.O.S. (3-Methoxy-2-(tributylstannyl)pyridine)

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用3-甲氧基-2-(三丁基锡烷基)吡啶是一种适用于有机合成和医药生产的中间体，主要应用于实验室研发及医药化工生产过程。

反应信息

• 作为反应物：
  描述：

  3-甲氧基-2-(三丁基锡烷基)吡啶 在 四(三苯基膦)钯 、 三溴化硼 、 copper(I) bromide 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 36.0h， 生成 5'-chloro-[2,2'-bipyridin]-3-ol
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES
  [FR] DÉRIVÉS DE PYRIMIDINYLOXY PYRIDINE SUBSTITUÉS UTILISÉS COMME HERBICIDES

  摘要：

  揭示了Formula 1的化合物，包括所有立体异构体、N-氧化物和盐，其中Q、Z、R2、R3和m如本公开的定义。还揭示了含有Formula 1化合物的组合物以及控制不受欢迎的植被的方法，包括将不受欢迎的植被或其环境与本发明的化合物或组合物的有效量接触。

  公开号：

  WO2016149315A1
• 作为产物：
  描述：

  2-溴-3-甲氧基吡啶 、 三丁基氯化锡 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 以40%的产率得到3-甲氧基-2-(三丁基锡烷基)吡啶
  参考文献：
  名称：

  2-(2-吡啶基)-2H-氮丙啶通过溴氮丙啶与 2-甲锡基吡啶的无金属 C-C 交叉偶联合成

  摘要：

  用于引入2-吡啶基取代基的2-溴-2-三元环的C-2位的高产量的方法ħ -azirine -2-羧酸衍生物通过直接交叉偶联用2-（三烷基甲锡)吡啶已被描述。该反应适用于 3-、4- 或 5-取代的 2-甲锡烷基吡啶，也可用于合成 2-(噻唑-2-基)-2 H-氮丙啶。根据DFT计算，该反应通过S N 2'-溴取代、1,4-甲锡烷基位移和吡啶环的[2,3]-σ位移的顺序进行。

  DOI：

  10.1021/acs.orglett.1c03060

文献信息

• PYRROLOPYRIMIDINES AS CFTR POTENTIATORS
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

  公开号：US20180141954A1

  公开（公告）日：2018-05-24

  The present invention relates to compounds of Formula I, wherein R 1a , R 1b , R 2 , R 3 , R 4 , W, Y, and Z are as described herein, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compound, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjögren's Syndrome, and other CFTR associated disorders.

  本发明涉及式I的化合物，其中R1a、R1b、R2、R3、R4、W、Y和Z如本文所述，并且其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还揭示了包括该化合物的药物组合物，可选地与额外治疗剂结合，并通过给予这些化合物来增强哺乳动物（包括人类）CFTR的方法。这些化合物可用于治疗囊性纤维化（CF）、哮喘、支气管扩张、慢性阻塞性肺病（COPD）、便秘、糖尿病、干眼症、胰腺炎、鼻窦炎、Sjögren综合征和其他与CFTR相关的疾病。
• [EN] PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS<br/>[FR] PYRAZOLO[3,4-B]PYRIDINES ET IMIDAZO[1,5-B]PYRIDAZINES UTILISÉES EN TANT QU'INHIBITEURS DE PDE1
  申请人：H LUNDBECK AS

  公开号：WO2019121840A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of formula (I) that are PDEl enzyme inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating disorders using the compounds of the invention.

  本发明提供了化合物(I)的结构，这些化合物是PDEl酶抑制剂，可用作药物，特别是用于治疗神经退行性疾病和精神疾病。本发明还提供了包含本发明化合物的药物组合物以及使用这些化合物治疗疾病的方法。
• PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS
  申请人：Breslin Henry J.

  公开号：US20120028919A1

  公开（公告）日：2012-02-02

  The present invention provides a compound of formula I or a salt form thereof, wherein Q 1 , Q 2 , Q 3 , and Q 4 are as defined herein. The compound of formula I has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了公式I或其盐形式的化合物，其中Q1、Q2、Q3和Q4的定义如本文所述。公式I的化合物具有ALK和/或JAK2抑制活性，可用于治疗增生性疾病。
• Pyrrolotriazines as ALK and JAK2 inhibitors
  申请人：Breslin Henry J.

  公开号：US08471005B2

  公开（公告）日：2013-06-25

  The present invention provides a compound of formula I or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula I has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了公式I或其盐形式的化合物，其中Q1、Q2、Q3和Q4的定义如本文所述。公式I的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• WO2023/244788
  申请人：——

  公开号：——

  公开（公告）日：——