3-溴-5-氯-2-甲氧基-4-甲基吡啶 | 851607-30-2

• 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: 3-溴-5-氯-2-甲氧基-4-甲基吡啶
• 英文名称: 3-bromo-5-chloro-2-methoxy-4-methylpyridine
• CAS: 851607-30-2
• 化学式: C₇H₇BrClNO
• 分子量: 236.496
• InChiKey: CRWBHPSHBRYYIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-5-chloro-2-methoxy-4-methylpyridine
Synonyms: 3-Bromo-5-chloro-2-methoxy-4-picoline

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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: 3-Bromo-5-chloro-2-methoxy-4-methylpyridine
CAS number: 851607-30-2

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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.

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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: C7H7BrClNO
Molecular weight: 236.5

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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 chloride, 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：

  3-溴-5-氯-2-甲氧基-4-甲基吡啶 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 (2,3,4-trimethoxy-6-methylphenyl)(5-chloro-2-methoxy-4-methyl-pyridin-3-yl)methanol
  参考文献：
  名称：

  BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE

  摘要：

  公开号：

  EP1679003B1
• 作为产物：
  描述：

  3-溴-2-氯-4-甲基吡啶 在 N-氯代丁二酰亚胺 、 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 3-溴-5-氯-2-甲氧基-4-甲基吡啶
  参考文献：
  名称：

  PYRAZOLOQUINOLINE DERIVATIVES

  摘要：

  由以下化学式（I）表示的化合物和/或药理学上可接受的盐具有PDE9抑制作用，因此预期将提高脑内cGMP浓度。PDE9抑制作用和cGMP的增加导致学习和记忆行为的改善，化合物（I）具有作为治疗代理人用于阿尔茨海默病认知功能障碍的适用性。其中R1是氢原子；R2是芳香环基团等；R3是氢原子等；R4是氢原子；R5是氧杂环丙基团等；R6是氢原子。

  公开号：

  US20130143907A1

文献信息

• Fungicidal composition and method for controlling plant diseases
  申请人：Nishide Hisaya

  公开号：US20060194849A1

  公开（公告）日：2006-08-31

  A fungicidal composition containing, as active ingredients, (a) a benzoylpyridine derivative represented by the following formula or its salt: wherein X is a halogen atom, a nitro group, a substitutable hydrocarbon group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group, a hydroxyl group, a substitutable alkylthio group, a cyano group, a carboxyl group which may be esterified or amidated, or a substitutable amino group, n is 1, 2, 3 or 4; R 1 is a substitutable alkyl group, R 2′ is a substitutable alkyl group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group or a hydroxyl group, p is 1, 2 or 3, and R 2″ is a substitutable alkoxy group or a hydroxyl group, provided that at least two of R 2′ and R 2″ optionally form a condensed ring containing an oxygen atom and (b) at least one other fungicide.

  一种杀真菌组合物，包含以下活性成分：（a）一种苯甲酰吡啶衍生物或其盐，其化学式如下：其中X是卤素原子、硝基、可替代的碳氢基团、可替代的烷氧基团、可替代的芳氧基团、可替代的环烷氧基团、羟基、可替代的烷硫基团、氰基、可酯化或酰胺化的羧基或可替代的氨基团，n为1、2、3或4；R1是可替代的烷基团，R2'是可替代的烷基团、可替代的烷氧基团、可替代的芳氧基团、可替代的环烷氧基团或羟基，p为1、2或3，R2"是可替代的烷氧基团或羟基，但R2'和R2"中至少有两个可选地形成含氧原子的螺环；（b）至少一种其他杀真菌剂。
• FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES
  申请人：NISHIDE Hisaya

  公开号：US20090247763A1

  公开（公告）日：2009-10-01

  It is to provide a fungicidal composition having stable and high fungicidal effects against cultivated crops infected with plant diseases resulting from plant diseases. A fungicidal composition containing as active ingredients (a) a benzoylpyridine derivative represented by the formula (I) or its salt: (wherein X is a halogen atom, a nitro group, a substitutable hydrocarbon group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group, a hydroxyl group, a substitutable alkylthio group, a cyano group, a carboxyl group which may be esterified or amidated, or a substitutable amino group, n is 1, 2, 3 or 4; R 1 is a substitutable alkyl group, R 2′ is a substitutable alkyl group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group or a hydroxyl group, a is 1, 2 or 3, and R 2″ is a substitutable alkoxy group or a hydroxyl group, provided that at least two of R 2′ and R 2″ may form a condensed ring containing an oxygen atom) and (b) at least one another fungicide.

  提供一种杀菌组合物，对由植物疾病引起的种植作物感染的植物疾病具有稳定和高效的杀菌效果。该杀菌组合物包含以下活性成分：(a)一种由式(I)表示的苯甲酰吡啶衍生物或其盐：(其中X为卤素原子、硝基、可替换的碳氢基、可替换的烷氧基、可替换的芳氧基、可替换的环烷氧基、羟基、可替换的烷硫基、氰基、可酯化或酰胺化的羧基或可替换的氨基，n为1、2、3或4；R1为可替换的烷基，R2'为可替换的烷基、可替换的烷氧基、可替换的芳氧基、可替换的环烷氧基或羟基，a为1、2或3，R2''为可替换的烷氧基或羟基，但至少有R2'和R2''中的两个可以形成含氧原子的缩环)和(b)至少另一种杀菌剂。
• Pyrazoloquinoline derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US08563565B2

  公开（公告）日：2013-10-22

  A compound and/or pharmacologically acceptable salt thereof represented by the formula (I) has PDE9 inhibitory action, so that the intracerebral cGMP concentration is anticipated to be elevated. The PDE9 inhibitory action and the increase in cGMP lead to the improvement of learning and memory behaviors, and the compound (I) has a potential use of a therapeutic agent for cognitive dysfunctions in Alzheimer's disease. wherein R1 is a hydrogen atom; R2 is an aromatic ring group, etc.; R3 is a hydrogen atom, etc; R4 is a hydrogen atom; R5 is an oxepanyl group, etc.; R6 is a hydrogen atom.

  化合物及/或其药理学上可接受的盐，其化学式表示为(I)，具有PDE9抑制作用，因此预计可提高脑内cGMP浓度。PDE9抑制作用和cGMP的增加导致学习和记忆行为的改善，该化合物(I)具有作为治疗阿尔茨海默病认知功能障碍的潜在药物的可能性。 其中，R1为氢原子；R2为芳香环基团等；R3为氢原子等；R4为氢原子；R5为氧杂环戊基基团等；R6为氢原子。
• Preparation of fungicidal benzoylpyridine derivatives
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP2338335A1

  公开（公告）日：2011-06-29

  A process for producing a benzoylpyridine derivative represented by the following formula (I) or its salt: (wherein X is a halogen atom, a nitro group, a substitutable hydrocarbon group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group, a hydroxyl group, a substitutable alkylthio group, a cyano group, a carboxyl group which may be esterified or amidated, or a substitutable amino group; n is 1, 2, 3 or 4; R' is a substitutable alkyl group; R2' is a substitutable alkyl group, a substitutable alkoxy group, a substitutable aryloxy group, a substitutable cycloalkoxy group or a hydroxyl group; p is 1, 2 or 3; and R2" is a substitutable alkoxy group or a hydroxyl group; wherein at least two of R2' and R2" may form a condensed ring containing an oxygen atom); characterized by reacting a compound represented by the formula (XIII): (wherein X and n are as defined above) with a compound represented by the formula (XIV): (wherein R1, R2', R2" and p are as defined above) in the presence of a Lewis acid or a dehydrating agent.

  一种生产下式 (I) 所代表的苯甲酰吡啶衍生物或其盐的工艺： (其中 X 是卤原子、硝基、可被取代的烃基、可被取代的烷氧基、可被取代的芳氧基、可被取代的环烷氧基、羟基、可被取代的烷硫基、氰基、可被酯化或酰胺化的羧基或可被取代的氨基；n 是 1、2、3 或 4；R'是可被取代的烷基；R2'是可被取代的烷基、可被取代的烷氧基、可被取代的芳氧基、可被取代的环烷氧基或羟基；p 是 1、2 或 3；R2 "是可被取代的烷氧基或羟基；其中至少两个 R2'和 R2 "可形成含有一个氧原子的缩合环）； 其特征是使式 (XIII) 所代表的化合物发生反应： 式(XIII)代表的化合物(其中X和n如上定义)与式(XIV)代表的化合物反应： (其中 R1、R2'、R2 "和 p 如上定义）的化合物在路易斯酸或脱水剂存在下反应。
• PYRAZOLOQUINOLINE DERIVATIVE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2769980A1

  公开（公告）日：2014-08-27

  A compound or pharmacologically acceptable salt thereof represented by the formula (I) has PDE9 inhibitory action, so that the intracerebral cGMP concentration is anticipated to be elevated. The PDE9 inhibitory action and the increase in cGMP lead to the improvement of learning and memory behaviors, and the compound (I) has a potential use of a therapeutic agent for cognitive dysfunctions in Alzheimer's disease. wherein R1 is a hydrogen atom; R2 is an aromatic ring group, etc.; R3 is a hydrogen atom, etc; R4 is a hydrogen atom; R5 is an oxepanyl group, etc.; R6 is a hydrogen atom.

  由式（I）代表的化合物或其药理上可接受的盐具有 PDE9 抑制作用，因此脑内 cGMP 浓度可望升高。PDE9 抑制作用和 cGMP 的增加导致学习和记忆行为的改善，因此化合物 (I) 有可能用作阿尔茨海默病认知功能障碍的治疗剂。 其中 R1 是氢原子；R2 是芳香环基等；R3 是氢原子等；R4 是氢原子；R5 是氧杂环烷基等；R6 是氢原子。