3-羟基异烟酸甲酯 | 10128-72-0

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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-羟基异烟酸甲酯
• 英文名称: methyl 3-hydroxypyridine-4-carboxylate
• 英文别名: methyl 3-hydroxyisonicotinate；methyl 3-hydroxy-4-pyridinecarboxylate
• CAS: 10128-72-0
• 化学式: C₇H₇NO₃
• mdl: MFCD00661299
• 分子量: 153.137
• InChiKey: OJRUFSZEJPZKQV-UHFFFAOYSA-N

物化性质

• 熔点：
  74-76°
• 沸点：
  313.6±22.0 °C(Predicted)
• 密度：
  1.287

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 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: Methyl 3-hydroxyisonicotinate
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: Methyl 3-hydroxyisonicotinate
CAS number: 10128-72-0

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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, refrigerated.
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: C7H7NO3
Molecular weight: 153.1

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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-羟基异烟酸甲酯 在 sodium hydroxide 、 盐酸羟胺 、 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 以96%的产率得到N,3-二羟基异烟酰胺
  参考文献：
  名称：

  [EN] METHOD FOR THE MANUFACTURE OF THIP
  [FR] PROCEDE DE PRODUCTION DE THIP

  摘要：

  本发明涉及一种制备Gaboxadol（THIP）的新方法，该方法对治疗睡眠障碍有用。具体而言，本发明涉及一种制备THIP的方法，包括将化合物式（8b）或其盐与酸（通常为矿酸）反应，以获得THIP作为酸加成盐的方法。本发明还涉及几种中间体。

  公开号：

  WO2005023820A1
• 作为产物：
  描述：

  3-氨基异烟酸甲酯 在 硫酸 、 sodium nitrite 作用下， 生成 3-羟基异烟酸甲酯
  参考文献：
  名称：

  SYNTHETIC TUBERCULOSTATS. II. AMINO- AND HYDROXY-PYRIDINE CARBOXYLIC ACID DERIVATIVES

  摘要：

  DOI：

  10.1021/jo01138a006

文献信息

• [EN] AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF<br/>[FR] COMPOSÉS D'AMINOPYRAZINE UTILISÉS EN TANT QU'INHIBITEURS DE HPK1 ET LEUR UTILISATION
  申请人：BEIGENE LTD

  公开号：WO2021032148A1

  公开（公告）日：2021-02-25

  Disclosed herein is an aminopyrazine compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

  本文揭示了一种式(I)的氨基吡嗪化合物，或其立体异构体，或其药学上可接受的盐，以及包含它们的药物组合物。还公开了利用本文所披露的化合物治疗HPK1相关疾病或疾病的方法。
• New organic nitrates.<b>II</b>. Synthesis of 2<i>H</i>-pyrido[2,3-<i>e</i>]-1,3-oxazine-2,4(3<i>H</i>)-diones, 2<i>H</i>-pyrido[4,3-<i>e</i>]-1,3-oxazine-2,4(3<i>H</i>)-diones, 2<i>H</i>-pyrido[4,3-<i>e</i>]-1,3-oxazin-4(3<i>H</i>)-ones, 2<i>H</i>-thieno[2,3-<i>e</i>]-1,3-oxazin-4(3<i>H</i>)-ones and 2<i>H</i>-thieno[3,4-<i>e</i>]-1,3-oxazin-2,4(3<i>H</i>)-diones
  作者：Francesca Benedini、Giorgio Bertolini、Francesco Ferrario、Angelo Motti、Alberto Sala、Flavio Somenzi

  DOI：10.1002/jhet.5570320118

  日期：1995.1

  The preparation and the physico-chemical characterization of 2H-pyrido[2,3-e]-1,3-oxazine-2,4(3H)-diones, 2H-pyrido[4,3-e]-1,3-oxazine-2,4(3H)-diones, 2H-pyrido[4,3-e]-1,3-oxazin-4(3H)-ones, 2H-thieno[2,3-e]-1,3-oxazin-4(3H)-ones and 2H-thieno[3,4-e]-1,3-oxazine-2,4(3H)-diones are reported.

  2 H-吡啶并[2,3 - e ] -1,3-恶嗪-2,4（3 H）-二酮，2 H-吡啶并[4,3- e ] -1的制备及理化性质，3-恶嗪-2,4（3 H）-二酮，2 H-吡啶基[4,3- e ] -1,3-恶嗪-4（3 H）-ones，2 H-噻吩并[2,3- ë ] -1,3-恶嗪-4（3 H ^） -酮和2- ħ -噻吩并[3,4- ë ] -1,3-恶嗪-2,4-（3 ħ报道） -二酮。
• Raf inhibitor compounds and methods of use thereof
  申请人：Miknis Greg

  公开号：US20070049603A1

  公开（公告）日：2007-03-01

  Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150344483A1

  公开（公告）日：2015-12-03

  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。
• [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。