5-溴-2-乙氧基-4-甲基吡啶 | 610279-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-溴-2-乙氧基-4-甲基吡啶
• 中文别名: 2-乙氧基-4-甲基-5-溴吡啶
• 英文名称: 5-bromo-2-ethoxy-4-methylpyridine
• CAS: 610279-04-4
• 化学式: C₈H₁₀BrNO
• 分子量: 216.077
• InChiKey: YHBHSFKVMVMPGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存储条件：2-8°C，密封保存，并保持干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-ethoxy-4-methylpyridine
Synonyms: 5-Bromo-2-ethoxy-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: 5-Bromo-2-ethoxy-4-methylpyridine
CAS number: 610279-04-4

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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: C8H10BrNO
Molecular weight: 216.1

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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, 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：

  5-溴-2-乙氧基-4-甲基吡啶 在 吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 盐酸羟胺 、 氢气 作用下， 以 乙醇 、 异丙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 65.0h， 生成 6-ethoxy-3,4-dihydro-2,7-naphthyridin-1(2H)-one
  参考文献：
  名称：

  一种6-乙氧基-3,4-二氢-2,7-萘啶-1（2H）-酮及其合成方法

  摘要：

  本发明属于有机合成技术领域，涉及一种6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮及其合成方法。该发明所述的化合物的方法为：以2,5‑二溴‑4‑甲基吡啶为原料，经取代、Suzuki偶联、插羰基反应，酰胺化及脱水反应五步反应制备了6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮，合成路径简单，成本低，效率高，得到的吡啶衍生物6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮可作为医药中间体。

  公开号：

  CN111961047A
• 作为产物：
  描述：

  2,5-二溴-4-甲基吡啶 、 sodium ethanolate 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 以95%的产率得到5-溴-2-乙氧基-4-甲基吡啶
  参考文献：
  名称：

  一种6-乙氧基-3,4-二氢-2,7-萘啶-1（2H）-酮及其合成方法

  摘要：

  本发明属于有机合成技术领域，涉及一种6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮及其合成方法。该发明所述的化合物的方法为：以2,5‑二溴‑4‑甲基吡啶为原料，经取代、Suzuki偶联、插羰基反应，酰胺化及脱水反应五步反应制备了6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮，合成路径简单，成本低，效率高，得到的吡啶衍生物6‑乙氧基‑3,4‑二氢‑2,7‑萘啶‑1(2H)‑酮可作为医药中间体。

  公开号：

  CN111961047A

文献信息

• INDOLE DERIVATIVES AS CRAC MODULATORS
  申请人：Alam Muzaffar

  公开号：US20110071150A1

  公开（公告）日：2011-03-24

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 and R 4 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with calcium release-activated calcium channels (CRAC).

  公式I的化合物： 或其药用可接受的盐， 其中R1、R2、R3和R4按本文定义。还公开了制造这些化合物的方法以及使用这些化合物治疗与钙释放激活钙通道（CRAC）相关疾病的用途。
• PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES
  申请人：GRÜNENTHAL GMBH

  公开号：US20150166505A1

  公开（公告）日：2015-06-18

  The invention relates to pyrazolyl-based carboxamide compounds useful as ICRAC inhibitors, to pharmaceutical compositions containing these compounds and to methods of using these compounds for the treatment and/or prophylaxis of diseases and/or disorders, in particular inflammatory diseases and/or inflammatory disorders.

  这项发明涉及以吡唑基为基础的羧酰胺化合物，其作为ICRAC抑制剂有用，涉及含有这些化合物的药物组合物以及使用这些化合物治疗和/或预防疾病和/或疾病的方法，特别是炎症性疾病和/或炎症性疾病。
• Substituted Aryl-Fluoroborates as Imaging Agents
  申请人：Perrin David

  公开号：US20100254903A1

  公开（公告）日：2010-10-07

  Substituted aryl-boron compounds comprising at least one 18 F atom, as illustrated by the formula (I), where at least one of Y 1 or Y 2 is 18 F and A 1 is a substituted aromatic ring, with G 1-5 being, independently, C or N, and where the substitutents of the aromatic ring or polycyclic moiety (other than boron) comprise at least one electron-withdrawing group (EWG), providing that sigma total (σ total ) for all substituents on the aromatic ring or polycyclic moiety except B is about 0.06 or more when said at least one EWG is positioned ortho to B, or about 0.2 or more when no EWG is positioned ortho to B. The compounds include neutral (N=1) and ionic borate (N=2) embodiments. The compounds are useful as positron emission tomography (PET) imaging agents.

  含有至少一个18F原子的取代芳基硼化合物，其由公式（I）所示，其中Y1或Y2中至少有一个为18F，A1为取代芳香环，G1-5分别为C或N，且芳香环或多环基团（除硼外）的取代基至少包括一个电子吸引基团（EWG），前提是当至少一个EWG位于B的正交位置时，芳香环或多环基团上所有取代基的总σ（σtotal）约为0.06或更高，或当没有EWG位于B的正交位置时，σtotal约为0.2或更高。该化合物包括中性（N=1）和离子硼酸盐（N=2）的实施例。该化合物可用作正电子发射断层扫描（PET）成像剂。
• Piperazine Oxadiazole Inhibitors of Acetyl-CoA Carboxylase
  作者：Matthew P. Bourbeau、Aaron Siegmund、John G. Allen、Hong Shu、Christopher Fotsch、Michael D. Bartberger、Ki-Won Kim、Renee Komorowski、Melissa Graham、James Busby、Minghan Wang、James Meyer、Yang Xu、Kevin Salyers、Mark Fielden、Murielle M. Véniant、Wei Gu

  DOI：10.1021/jm401601s

  日期：2013.12.27

  Acetyl-CoA carboxylase (ACC) is a target of interest for the treatment of metabolic syndrome. Starting from a biphenyloxadiazole screening hit, a series of piperazine oxadiazole ACC inhibitors was developed. Initial pharmacokinetic liabilities of the piperazine oxadiazoles were overcome by blocking predicted sites of metabolism, resulting in compounds with suitable properties for further in vivo studies. Compound 26 was shown to inhibit malonyl-CoA production in an in vivo pharmacodynamic assay and was advanced to a long-term efficacy study. Prolonged dosing with compound 26 resulted in impaired glucose tolerance in diet-induced obese (DIO) CS7BL6 mice, an unexpected finding.
• US8574546B2
  申请人：——

  公开号：US8574546B2

  公开（公告）日：2013-11-05