5-溴-2-苄氧基-6-甲基吡啶 | 126717-60-0

• 物质功能分类: 医药中间体 - 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: 5-溴-2-苄氧基-6-甲基吡啶
• 中文别名: 2-苄氧基-5-溴-6-甲基吡啶；3-溴-2-甲基-6-苯基甲氧基吡啶
• 英文名称: 6-(benzyloxy)-3-bromo-2-methylpyridine
• 英文别名: 2-benzyloxy-5-bromo-6-methylpyridine；5-Bromo-2-benzyloxy-6-methylpyridine；3-bromo-2-methyl-6-phenylmethoxypyridine
• CAS: 126717-60-0
• 化学式: C₁₃H₁₂BrNO
• 分子量: 278.148
• InChiKey: RBXCAMWLXQQRPW-UHFFFAOYSA-N

物化性质

• 沸点：
  185-187 °C(Press: 6 Torr)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 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：
  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: 6-(Benzyloxy)-3-bromo-2-methylpyridine
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: 6-(Benzyloxy)-3-bromo-2-methylpyridine
CAS number: 126717-60-0

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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: C13H12BrNO
Molecular weight: 278.1

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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-苄氧基-6-甲基吡啶 在 2-(dicyclohexylphosphino)-2',4',6'-tri-1-propyl-1,1'-biphenyl 、 palladium 10% on activated carbon 、 氢气 、 palladium diacetate 、 potassium carbonate 、 caesium carbonate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 反应 21.0h， 生成 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-3-ol
  参考文献：
  名称：

  ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH

  摘要：

  在一个方面，该发明提供了式I的化合物，以及其盐、水合物和异构体。在另一个方面，该发明提供了一种通过向需要的受试者投予式I、式II或式III的化合物的治疗有效剂量来促进骨形成的方法。本发明还提供了骨科和牙周设备，以及使用式I、式II或式III的化合物治疗肾脏疾病和癌症的方法。

  公开号：

  US20140288068A1
• 作为产物：
  描述：

  5-溴-6-甲基-2(1H)-吡啶酮 、 溴甲苯 在 silver carbonate 作用下， 以 苯 为溶剂， 反应 24.0h， 以96%的产率得到5-溴-2-苄氧基-6-甲基吡啶
  参考文献：
  名称：

  A Facile Synthesis of Bromo-2-alkoxypyridines

  摘要：

  DOI：

  10.3987/com-89-5142

文献信息

• Discovery of 3,5-Dimethylpyridin-4(1<i>H</i>)-one Derivatives as Activators of AMP-Activated Protein Kinase (AMPK)
  作者：Kazuyuki Kuramoto、Yuki Sawada、Naoki Ishibashi、Tomohiro Yamada、Takeyuki Nagashima、Takashi Shin

  DOI：10.1248/cpb.c19-00800

  日期：2020.1.1

  synthesized and evaluated as AMP-activated protein kinase (AMPK) activators. Unlike direct AMPK activators, this series of compounds showed selective cell growth inhibitory activity against human breast cancer cell lines. By optimizing the lead compound (4a) from our library, 2-[(1'-[(4-fluorophenyl)methyl]-2-methyl-1',2',3',6'-tetrahydro[3,4'-bipyridin]-6-yl}oxy)methyl]-3,5-dimethylpyridin-4(1H)-one (25)

  合成了新型的3,5-二甲基吡啶-4（1H）-1支架化合物，并将其评估为AMP激活的蛋白激酶（AMPK）激活剂。与直接AMPK激活剂不同，这一系列化合物对人乳腺癌细胞系表现出选择性的细胞生长抑制活性。通过优化我们库中的前导化合物（4a），可以使2-[（1'-[（4-氟苯基）甲基] -2-甲基-1'，2'，3'，6'-四氢[3,4发现'-联吡啶] -6-基}氧基）甲基] -3,5-二甲基吡啶-4（1H）-一（25）具有有效的AMPK活化活性。化合物25还显示出良好的水溶性，同时在细胞生长抑制活性中保持独特的选择性。
• [EN] SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES<br/>[FR] DIHYDROPYRAZOLO[4,3-B]INDOLES SUBSTITUÉES DANS LES POSITIONS 1 ET 4
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2014039831A1

  公开（公告）日：2014-03-13

  Disclosed are compounds of Formula (1), and pharmaceutically acceptable salts thereof, wherein L, R1, R2, R3, R4, R5, R6, and R7 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating obesity and related diseases, disorders, and conditions associated with MetAP2.

  本公开涉及式（1）的化合物及其药用盐，其中L、R1、R2、R3、R4、R5、R6和R7在规范中定义。本公开还涉及制备式1化合物的材料和方法，含有它们的药物组合物，以及它们用于治疗与MetAP2相关的肥胖和相关疾病、紊乱和病况的用途。
• SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20150225405A1

  公开（公告）日：2015-08-13

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein L, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating obesity and related diseases, disorders, and conditions associated with MetAP2.

  本发明涉及公式1的化合物及其药学上可接受的盐，其中L，R1，R2，R3，R4，R5，R6和R7在说明书中有定义。本公开还涉及制备公式1化合物的材料和方法，包含它们的制药组合物，以及它们用于治疗肥胖和与MetAP2相关的疾病、障碍和病况的用途。
• Synthesis of Milrinone, a Cardiotonic Agent
  作者：Min-Jen Shiao、Li-Ming Shyu、Chieh-Fu Chen

  DOI：10.3987/com-89-5276

  日期：——
• SHIAO, MIN-JEN;TARNG, KAI-TIH, HETEROCYCLES, 31,(1990) N, C. 819-824
  作者：SHIAO, MIN-JEN、TARNG, KAI-TIH

  DOI：——

  日期：——