4-溴-3,5-二甲氧基吡啶 | 1033610-45-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-溴-3,5-二甲氧基吡啶
• 英文名称: 4-bromo-3,5-dimethoxypyridine
• CAS: 1033610-45-5
• 化学式: C₇H₈BrNO₂
• 分子量: 218.05
• InChiKey: VZEQDTASUOQIOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  275.2±35.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-3,5-dimethoxypyridine
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: 4-Bromo-3,5-dimethoxypyridine
CAS number: 1033610-45-5

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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, under −20◦C.
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: C7H8BrNO2
Molecular weight: 218.0

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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, hydrogen bromide.

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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：

  4-溴-3,5-二甲氧基吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 叔丁基锂 、 sodium hydride 、 potassium carbonate 、 bis(pyridine)iodonium tetrafluoroborate 、 三乙胺 作用下， 以 四氢呋喃 、 苯甲醚 、 N,N-二甲基甲酰胺 、 乙腈 、 正戊烷 为溶剂， -78.0~90.0 ℃ 、1.24 MPa 条件下， 反应 49.67h， 生成
  参考文献：
  名称：

  WO2008/70908

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二甲氧基吡啶 在 正丁基锂 、 1,1,2,2-四溴乙烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.08h， 以52%的产率得到4-溴-3,5-二甲氧基吡啶
  参考文献：
  名称：

  一种吡啶炔前体及其合成方法

  摘要：

  本发明公开了一种吡啶炔前体及其合成方法。所述吡啶炔前体有如A所示的结构，该吡啶炔前体的合成方法包括4‑溴‑3，5‑二甲氧基吡啶的合成，4‑溴‑3,5‑二羟基吡啶的合成，4‑二甲基叔丁基硅基‑5‑二甲基叔丁基硅氧基‑3羟基吡啶，4‑二甲基叔丁基硅基‑3,5‑二羟基吡啶，吡啶炔前体A的合成五个步骤。本发明的技术效果是：首先，吡啶炔前体具有在吡啶环的3,5位置上进行双亲核官能化反应的特性，该性能在有机合成及药物合成领域具有广阔的应用前景；其次，吡啶炔前体的合成方法简便，可大量制备。

  公开号：

  CN109836446A

文献信息

• 一种吡啶炔前体及其合成方法
  申请人：重庆大学

  公开号：CN109836446A

  公开（公告）日：2019-06-04

  本发明公开了一种吡啶炔前体及其合成方法。所述吡啶炔前体有如A所示的结构，该吡啶炔前体的合成方法包括4‑溴‑3，5‑二甲氧基吡啶的合成，4‑溴‑3,5‑二羟基吡啶的合成，4‑二甲基叔丁基硅基‑5‑二甲基叔丁基硅氧基‑3羟基吡啶，4‑二甲基叔丁基硅基‑3,5‑二羟基吡啶，吡啶炔前体A的合成五个步骤。本发明的技术效果是：首先，吡啶炔前体具有在吡啶环的3,5位置上进行双亲核官能化反应的特性，该性能在有机合成及药物合成领域具有广阔的应用前景；其次，吡啶炔前体的合成方法简便，可大量制备。
• [EN] TRIAZOLE DAGL(α) INHIBITORS<br/>[FR] INHIBITEURS À TRIAZOLE DE DAGL(Α)
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2017096315A1

  公开（公告）日：2017-06-08

  Provided herein are triazole compounds and pharmaceutical compositions comprising said compounds useful as modulators of DAGL(α) and DAGL(β). In some embodiments, the compounds described herein are selective DAGL(α) inhibitors. Furthermore, the subject compounds and compositions are useful for the treatment of neurodegenerative or neuroinflammatory disease.

  本文提供了三唑化合物和含有这些化合物的药物组合物，用作DAGL(α)和DAGL(β)的调节剂。在某些实施例中，本文描述的化合物是选择性的DAGL(α)抑制剂。此外，所述化合物和组合物对于治疗神经退行性或神经炎症性疾病是有用的。
• [EN] LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE LACTAME UTILES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2012063207A1

  公开（公告）日：2012-05-18

  The present invention relates to lactam derivatives of formula (I) wherein Y, R1, R2 and R3 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及公式（I）的内酰胺衍生物，其中Y、R1、R2和R3如描述中所述，以及它们的制备方法，其药学上可接受的盐，以及它们作为药物的用途，包括含有一个或多个公式（I）化合物的药物组合物，特别是它们作为促进睡眠的药物受体拮抗剂的用途。
• [EN] IL-17A MODULATORS<br/>[FR] MODULATEURS DE IL-17A
  申请人：SANOFI SA

  公开号：WO2021239743A1

  公开（公告）日：2021-12-02

  The present invention relates to compounds that are IL-17A modulators. The compounds have the structural Formula I defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or disorders associated with modulation of IL-17A activity.

  本发明涉及一种IL-17A调节剂化合物。这些化合物具有本文中定义的结构式I。本发明还涉及制备这些化合物的方法，包括它们的药物组成物，以及它们在治疗与IL-17A活性调节相关的疾病或疾病中的用途。
• [EN] AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES<br/>[FR] DÉRIVÉS D'AZACOUMARINES ET D'AZATHIOCOUMARINE DESTINÉS À ÊTRE UTILISÉS DANS DES DISPOSITIFS OPTIQUEMENT ACTIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2021233800A1

  公开（公告）日：2021-11-25

  The present invention relates to novel ophthalmic devices comprising polymerized compounds comprising a photoactive chromophore, said polymerized compounds, and special monomer compounds being particularly suitable for compositions and ophthalmic devices. The present invention is also directed to a process of changing the optical properties of said ophthalmic device or a precursor article for manufacturing said ophthalmic device.

  本发明涉及包括聚合物化合物的新型眼科器件，所述聚合物化合物包括光活性色素，以及特殊单体化合物，特别适用于眼科器件的组合物和眼科器件。本发明还涉及一种改变所述眼科器件的光学性能或用于制造所述眼科器件的前体物品的方法。