(5-甲氧基吡啶-3-基)甲醇 | 937202-11-4

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (5-甲氧基吡啶-3-基)甲醇
• 英文名称: (5-methoxypyridin-3-yl)methanol
• CAS: 937202-11-4
• 化学式: C₇H₉NO₂
• mdl: MFCD11052844
• 分子量: 139.154
• InChiKey: VKRWRIKWXFAPEL-UHFFFAOYSA-N

物化性质

• 沸点：
  285.1±25.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (5-Methoxypyridin-3-yl)methanol
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: (5-Methoxypyridin-3-yl)methanol
CAS number: 937202-11-4

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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: C7H9NO2
Molecular weight: 139.2

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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.

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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-甲氧基吡啶-3-基)甲醇 在 哌啶 、 吡啶 、 chromium(VI) oxide 、 氯甲酸乙酯 、 三溴化硼 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 生成 N-[3-(5-hydroxy-3-pyridyl)acryloyl]4-(4-diphenylmethyl-1-piperazinyl)butylamine
  参考文献：
  名称：

  Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acrylamides

  摘要：

  A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (3-pyridyl)acrylamide] against the rat passive cutaneous anaphylaxis (PCA) reaction and the enzyme 5-lipoxygenase. Particularly, (E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (6-methyl-3-pyridyl)acrylamide (17p) showed an ED50 value of 3.3 mg/kg po in the rat PCA test, which was one-fifth of ketotifen and oxatomide. As compared with ketotifen and oxatomide, compound 17p (AL-3264) possessed a better balance of antiallergic properties due to inhibition of chemical mediator release, inhibition of 5-lipoxygenase, and antagonism of histamine.

  DOI：

  10.1021/jm00123a012
• 作为产物：
  描述：

  5-甲氧基吡啶-3-羧酸甲酯 在 二异丁基氢化铝 、 水 作用下， 以 甲苯 为溶剂， 反应 0.17h， 生成 (5-甲氧基吡啶-3-基)甲醇
  参考文献：
  名称：

  WO2007/67511

  摘要：

  公开号：

文献信息

• [EN] PROBES FOR IMAGING HUNTINGTIN PROTEIN<br/>[FR] SONDES D'IMAGERIE DE LA PROTÉINE HUNTINGTINE
  申请人：CHDI FOUNDATION INC

  公开号：WO2016033445A1

  公开（公告）日：2016-03-03

  Provided are imaging agents comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof, and methods of their use.

  提供了包含化合物I式或其药用可接受盐的成像试剂，以及它们的使用方法。
• Process for producing heterocyclic aldehyde
  申请人：Shiomi Yasuhiro

  公开号：US20050124807A1

  公开（公告）日：2005-06-09

  The present invention provides a process for preparing a heterocyclic aldehyde by oxidizing a heterocyclic alcohol with high selectivity and high yield. Specifically, the heterocyclic aldehyde is prepared by reacting a heterocyclic compound having at least one hydroxymethyl group bonded to a carbon atom of a heterocyclic ring with a hypohalogenous acid salt in the presence of a base to oxidize the hydroxymethyl group, wherein reaction is conducted in the co-presence of a 2,2,6,6-tetramethylpiperidine-1-oxyl derivative having at least two 2,2,6,6-tetramethylpiperidine-1-oxyl-4-yl groups.

  本发明提供了一种通过氧化具有高选择性和高产率的杂环醇来制备杂环醛的方法。具体来说，通过将至少有一个羟甲基基团与杂环环的碳原子键合的杂环化合物与次氯酸盐在碱的存在下反应，氧化羟甲基基团来制备杂环醛，其中反应在共存至少具有两个2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的共存下进行。
• Adamantyl Ethanone Pyridyl Derivatives: Potent and Selective Inhibitors of Human 11β-Hydroxysteroid Dehydrogenase Type 1
  作者：Xiangdong Su、Fabienne Pradaux-Caggiano、Nigel Vicker、Mark P. Thomas、Heather Halem、Michael D. Culler、Barry V. L. Potter

  DOI：10.1002/cmdc.201100182

  日期：2011.9.5

  such as type 2 diabetes and obesity. 11β‐Hydroxysteroid dehydrogenase type 1 (11β‐HSD1) catalyses the intracellular conversion of inactive cortisone to cortisol. Selective 11β‐HSD1 inhibitors have shown beneficial effects in various conditions, including diabetes, dyslipidemia and obesity. A series of adamantyl ethanone pyridyl derivatives has been identified, providing potent and selective inhibitors

  活性糖皮质激素水平升高与代谢综合征的几种表型的发展有关，例如 2 型糖尿病和肥胖症。11β-羟基类固醇脱氢酶 1 (11β-HSD1) 催化细胞内无活性的可的松转化为皮质醇。选择性 11β-HSD1 抑制剂已在多种疾病中显示出有益效果，包括糖尿病、血脂异常和肥胖症。已经鉴定了一系列金刚乙酮吡啶基衍生物，提供了有效和选择性的人 11β-HSD1 抑制剂。先导化合物对人和小鼠 11β-HSD1 显示出低纳摩尔抑制，并且对该亚型具有选择性，对 11β-HSD2 和 17β-HSD1 没有活性。构效关系研究表明，未取代的吡啶通过醚或亚砜接头连接到金刚乙酮基序上，为活性提供了合适的药效团。最有效的抑制剂具有 IC50值在 34–48 n M左右对抗人类 11β-HSD1，在人类肝微粒体中表现出合理的代谢稳定性，以及对关键人类 CYP450 酶的弱抑制。
• Morpholine Carboxamide Prokineticin Receptor Antagonists
  申请人：Thompson Wayne J.

  公开号：US20090306076A1

  公开（公告）日：2009-12-10

  The present invention is directed to morpholine carboxamide compounds which are antagonists of prokineticin receptors, in particular antagonists of prokineticin 2 receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which prokineticin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which prokineticin receptors are involved.

  本发明涉及形态啉羧酰胺化合物，其为促动素受体拮抗剂，特别是促动素2受体拮抗剂，可用于治疗或预防神经和精神障碍和疾病，其中涉及促动素受体。本发明还涉及包含这些化合物的制药组合物以及在涉及促动素受体的这种疾病的预防或治疗中使用这些化合物和组合物的用途。
• Morpholine carboxamide prokineticin receptor antagonists
  申请人：Merck Sharp & Dohme. Corp.

  公开号：US07855201B2

  公开（公告）日：2010-12-21

  The present invention is directed to morpholine carboxamide compounds which are antagonists of prokineticin receptors, in particular antagonists of prokineticin 2 receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which prokineticin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which prokineticin receptors are involved.

  本发明涉及形态咪唑羧酰胺化合物，其为促动素受体的拮抗剂，特别是促动素2受体的拮抗剂，并且在治疗或预防神经系统和精神障碍及疾病中起作用，其中涉及促动素受体。本发明还涉及包含这些化合物的制药组合物以及在涉及促动素受体的这类疾病的预防或治疗中使用这些化合物和组合物。