3-甲氧基吡啶-4-醛 | 1849-52-1

• 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-甲氧基吡啶-4-醛
• 英文名称: 3-methoxy-4-pyridinecarboxaldehyde
• 英文别名: 3-methoxyisonicotinic aldehyde；3-methoxyisonicotinaldehyde；3-methoxy-pyridine-4-carbaldehyde；3-Methoxy-pyridin-4-carbaldehyd；3-Methoxy-pyridin-aldehyd-(4)；3-Methoxy-4-formyl-pyridin；3-methoxypyridine-4-carbaldehyde
• CAS: 1849-52-1
• 化学式: C₇H₇NO₂
• 分子量: 137.138
• InChiKey: FZWFPBUTNZWBEM-UHFFFAOYSA-N

物化性质

• 熔点：
  36-37 °C
• 沸点：
  80 °C(Press: 1 Torr)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 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,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methoxyisonicotinaldehyde
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: 3-Methoxyisonicotinaldehyde
CAS number: 1849-52-1

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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.
Storage: Store in closed vessels, under −20◦C.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H7NO2
Molecular weight: 137.1

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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.

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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-甲氧基吡啶-4-醛 生成 Hydroxy-(3-methoxy-pyridin-4-yl)-methanol anion
  参考文献：
  名称：

  Owen, Terence C., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 4, p. 987 - 990

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲氧基-4-吡啶羧酸 在 manganese(IV) oxide 、 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 8.0h， 生成 3-甲氧基吡啶-4-醛
  参考文献：
  名称：

  NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF

  摘要：

  提供一种由通用式[1A]表示的吗啉衍生物或其盐。 （在该式中，环A代表由通用式[I]表示的环；*代表连接位置；Z 2 代表CH或类似物；Z 1 代表CR 6 或类似物；R 6 代表氢原子或类似物；X 1 代表CHR 7 或类似物；R 7 代表氢原子或类似物；X 2 代表CH 2 或类似物；R 1 和R 2 相同或不同，且R 1 和R 2 中的每一个代表氢原子或类似物；R 3 ，R 4 和R 5 相同或不同，且R 3 ，R 4 和R 5 中的每一个代表氢原子，NR a R b 或类似物；R a 和R b 中的每一个代表氢原子，可能具有取代基的C 1-8 烷基基团，或类似物。）

  公开号：

  US20160168139A1

文献信息

• [EN] INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR<br/>[FR] INHIBITEURS DE PRÉSENTATION D'ANTIGÈNE PAR HLA-DR
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021198283A1

  公开（公告）日：2021-10-07

  Chromanone compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with the inhibition of antigen presentation by HLA-DR.

  Chromanone化合物，含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗与HLA-DR抗原呈递抑制相关的疾病状态、疾病和症状的方法。
• [EN] SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS D'ALDÉHYDES HÉTÉROARYLES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION DANS L'ACCROISSEMENT DE L'OXYGÉNATION TISSULAIRE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2013102145A1

  公开（公告）日：2013-07-04

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• Studies on pyridoxine and pyridoxal analogs—I
  作者：Dietrich Heinert、Arthur E. Martell

  DOI：10.1016/s0040-4020(01)82610-7

  日期：1958.1

  reported. The preparation of the thio-semicarbazones of the aldehydes, as potential tuberculostatic agents, and of 3-hydroxy-4-hydroxymethylpyridine and 3-methoxy-4-hydroxymethylpyridine as pyridoxine analogs, are described.

  报道了3-羟基吡啶-2-醛，3-甲氧基吡啶-2-醛，3-羟基吡啶-4-醛，3-甲氧基吡啶-4-醛及其衍生物和一些新的中间体的制备，纯化和性质。描述了作为潜在的抗结核剂的醛的硫代半咔唑和作为吡pyr醇类似物的3-羟基-4-羟基甲基吡啶和3-甲氧基-4-羟基甲基吡啶的制备。
• [EN] FLAVIN DERIVATIVES<br/>[FR] DÉRIVÉS DES FLAVINES
  申请人：BIORELIX INC

  公开号：WO2011008247A1

  公开（公告）日：2011-01-20

  The present invention relates novel flavin derivatives and other flavin derivatives, their use and compositions for use as riboswitch ligands and/or anti-infectives. The invention also provides method of making novel flavin derivatives.

  本发明涉及新型黄素衍生物和其他黄素衍生物，它们的用途和用作核糖开关配体和/或抗感染剂的组合物。该发明还提供了制备新型黄素衍生物的方法。
• 一种二芳基喹啉衍生物的制备方法
  申请人：湖南华腾制药有限公司

  公开号：CN108689998A

  公开（公告）日：2018-10-23

  本发明提供了一种二芳基喹啉衍生物的制备方法，以6‑溴‑2‑甲氧基喹啉和取代吡啶醛为起始原料，经过锂化加成，羟基保护，还原，卤原子取代，再锂化加成的方法得到目标产物，该化合物在药物化学领域具有广泛的应用前景。