1,2-二氢-6-甲基-2-氧代-4-啶啶-4-羧酸乙酯 | 98491-78-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: 1,2-二氢-6-甲基-2-氧代-4-啶啶-4-羧酸乙酯
• 中文别名: 2-羟基-6-甲基异烟酸甲酯
• 英文名称: methyl 6-methyl-2-hydroxypyridine-4-carboxylate
• 英文别名: 4-carbomethoxy-6-hydroxy-2-methylpyridine；methyl 2-hydroxy-6-methylisonicotinate；2-hydroxy-6-methyl-isonicotinic acid methyl ester；2-Hydroxy-6-methyl-isonicotinsaeure-methylester；methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
• CAS: 98491-78-2
• 化学式: C₈H₉NO₃
• mdl: MFCD16038580
• 分子量: 167.164
• InChiKey: UAWGJLZPZYXSBO-UHFFFAOYSA-N

物化性质

• 熔点：
  224-225℃
• 密度：
  1.201

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 2-hydroxy-6-methylisonicotinate
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 2-hydroxy-6-methylisonicotinate
CAS number: 98491-78-2

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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: C8H9NO3
Molecular weight: 167.2

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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：

  1,2-二氢-6-甲基-2-氧代-4-啶啶-4-羧酸乙酯 在 正丁基锂 、 三丁基氯化锡 作用下， 以 四氢呋喃 、 吡啶 、 正己烷 为溶剂， 反应 27.0h， 生成 6,6'-二甲基-2,2'-联吡啶
  参考文献：
  名称：

  通过斯蒂尔型交叉偶联反应直接和改进获得不对称功能化的联吡啶

  摘要：

  摘要 甲磺酸酯、甲苯磺酸酯和三氟甲磺酸酯的 Stille 型交叉偶联反应允许以可能的多克规模合成对称但也有趣的非对称单官能化 2'2'-联吡啶。

  DOI：

  10.1081/scc-120015770
• 作为产物：
  描述：

  乙酰丙酮酸乙酯 在 盐酸 、 乙醚 、 乙醇 、 二乙胺 作用下， 生成 1,2-二氢-6-甲基-2-氧代-4-啶啶-4-羧酸乙酯
  参考文献：
  名称：

  Musante; Fatutta, Annali di Chimica, 1957, vol. 47, p. 385,391

  摘要：

  DOI：

文献信息

• [EN] [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS<br/>[FR] DÉRIVÉS DE [1,2,4] TRIAZOLO [1,5-A] PYRIMIDINE EN TANT QU'INHIBITEURS DE PDE2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018083098A1

  公开（公告）日：2018-05-11

  The present invention relates to novel [1,2,4]triazolo[1,5-a]pyrimidin-yl derivatives as inhibitors of phosphodiesterase 2 (PDE2). The invention is also directed to pharmaceutical compositions comprising the compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which PDE2 is involved, such as neurological and psychiatric disorders.

  本发明涉及新型的[1,2,4]三唑[1,5-a]嘧啶基衍生物，作为磷酸二酯酶2（PDE2）的抑制剂。该发明还涉及包含这些化合物的药物组合物，制备这些化合物和组合物的方法，以及使用这些化合物和组合物预防治疗PDE2相关疾病，如神经和精神疾病。
• 一种螺环衍生物、其制备方法及其在医药上的应用
  申请人：江苏恒瑞医药股份有限公司

  公开号：CN113264945B

  公开（公告）日：2022-11-22

  本发明涉及一种螺环衍生物、其制备方法及其在医药上的应用。具体而言，本公开涉及一种通式(I)所示的螺环衍生物、其制备方法及含有该衍生物的药物组合物以及其作为治疗剂的用途，特别是作为RAF抑制剂的用途和用于制备治疗或预防过渡表达RAF活性相关的各种疾病(包括癌症)药物中的用途。
• Chemotherapie der experimentellen Tuberkulose III. Derivate des 2-Methyl-isonicotinsäurehydrazids
  作者：O. Isler、H. Gutmann、O. Straub、B. Fust、E. Böhni、A. Studer

  DOI：10.1002/hlca.19550380425

  日期：——

  Some fifty-two derivatives of 2-methylisonicotinic acid hydrazide were synthesized and tested for their antitubercular action. The derivatives were prepared by reaction of 2-methylisonicotinic acid hydrazide with aldehydes, ketones, and carboxylic acid chlorides, by condensation of 2-methylisonicotinic acid chloride with dialkylated hydrazines, and by hydrogenation of 2-methylisonicotinyl hydrazones

  合成了约52个2-甲基异烟酸酰肼衍生物，并测试了它们的抗结核作用。通过2-甲基异烟酰胺酰肼与醛，酮和羧酸氯化物的反应，通过2-甲基异烟酰胺酰氯与二烷基化肼的缩合，以及2-甲基异烟碱酰肼的氢化来制备衍生物。
• MGluR5 modulators I
  申请人：Wallberg Andreas

  公开号：US20070259862A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们的制备方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• [EN] NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS<br/>[FR] NOUVEAUX DÉRIVÉS D'ARYLALCÈNE ET UTILISATION DE CEUX-CI EN TANT QUE MODULATEURS SÉLECTIFS DE RÉCEPTEUR D'OESTROGÈNE
  申请人：CENTAURUS BIOPHARMA CO LTD

  公开号：WO2013097773A1

  公开（公告）日：2013-07-04

  The invention provides novel ethylene derivatives represented by Formula I, which may be used as selective estrogen receptor modulators (SERMs) and useful in the prophylaxis and/or treatment of estrogen-dependent conditions or conditions.

  该发明提供了一种新型的乙烯衍生物，其化学式为I，可用作选择性雌激素受体调节剂（SERMs），并在预防和/或治疗依赖雌激素的疾病或症状方面具有用处。