2-嘧啶甲酸乙酯 | 42839-08-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 酯类 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-嘧啶甲酸乙酯
• 中文别名: 乙基2-嘧啶羧酸
• 英文名称: ethyl pyrimidine-2-carboxylate
• 英文别名: ethyl 2-pyrimidinecarboxylate
• CAS: 42839-08-7
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: PYFMAAFCQDFHJX-UHFFFAOYSA-N

物化性质

• 熔点：
  64-66°C
• 沸点：
  262.3±23.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥环境中保存。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Ethyl 2-pyrimidinecarboxylate
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: Ethyl 2-pyrimidinecarboxylate
CAS number: 42839-08-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C7H8N2O2
Molecular weight: 152.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-嘧啶甲酸乙酯 在 五氯化磷 、 sodium hydroxide 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 13.0h， 生成 波生坦
  参考文献：
  名称：

  一种治疗肺动脉高压药物的制备方法

  摘要：

  本发明提供了一种治疗肺动脉高压治疗药物的制备方法。具体地，本发明提供了一种关键中间体式(IV)化合物的制备方法，所述方法利用式(II)化合物和式(III)化合物反应，得到式(IV)化合物。该制备方法原料易得，成本低，条件温和，适合工业化生产。

  公开号：

  CN104193687B
• 作为产物：
  描述：

  嘧啶-2-羧酸 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-嘧啶甲酸乙酯
  参考文献：
  名称：

  电子不足的杂芳烃盐：氧化中过氧化氢活化的有机催化工具

  摘要：

  制备了一系列的单取代的嘧啶鎓和吡嗪鎓三氟甲磺酸酯和3,5-二取代的吡啶鎓三氟甲磺酸酯，并使用硫氧化作为模型反应，对过氧化氢的简单氧化催化剂进行了测试。它们的催化效率在很大程度上取决于取代基的类型，并且对于具有吸电子基团的衍生物而言是显着的，其反应性与黄酮盐相当，后者是氧合作用的主要有机催化剂。由于它们的高稳定性和良好的可及性，4-（三氟甲基）嘧啶鎓和3,5-二硝基吡啶鎓三氟甲磺酸盐是选择的催化剂，并显示出催化脂肪族和芳香族硫化物氧化为亚砜的作用，定量转化率高，制备产率高，并且具有优异的性能。化学选择性。K R +值（p K R + <5）和较小的负还原电位（E red > -0.5 V）。在催化氧化过程中原位形成的过氧化氢加合物充当底物氧化剂。通过在B3LYP / 6-311 ++ g（d，p）水平上的计算获得的从这些杂环氢过氧化物到硫代苯甲醚的转移的吉布斯自由能表明，它们是比烷基氢过氧化

  DOI：

  10.1021/jo502865f

文献信息

• [EN] COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS COMPRENANT DES DÉRIVÉS D'IMIDAZOLE ET DE TRIAZOLE
  申请人：INST ONEWORLD HEALTH

  公开号：WO2010033626A1

  公开（公告）日：2010-03-25

  The present invention relates to compositions and methods for treating a disease in an animal, which disease is responsive to inhibiting of functional cystic fibrosis transmembrane conductance regulator (CFTR) polypeptide by administering to a mammal in need thereof an effective amount of a compound defined herein (including those compounds set forth in Tables 1-3 or encompassed by formulas (I), (IA), (IB), (II), and (III)) or compositions thereof, thereby treating the disease. The present invention particularly, relates to a method of treating diarrhea and polycystic kidney disease.

  本发明涉及用于治疗动物疾病的组合物和方法，该疾病对通过向需要的哺乳动物投与本文中定义的化合物的有效量（包括表1-3中列出的那些化合物或由公式（I）、（IA）、（IB）、（II）和（III）所包含的化合物）或其组合物来抑制功能性囊性纤维化跨膜传导调节蛋白（CFTR）多肽作出反应，从而治疗该疾病。本发明特别涉及一种治疗腹泻和多囊肾病的方法。
• MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis

  公开号：EP3875452A1

  公开（公告）日：2021-09-08

  Provided are compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof: Also provided are compositions comprising compounds of formula (I). The compounds and compositions are also provided for use as medicaments, for example as medicaments useful in the treatment of a condition modulated by monoacylglycerol lipase (MAGL). Also provided are the use of compounds and compositions for the inhibition of monoacylglycerol lipase (MAGL).

  提供的是式(I)的化合物，或其药学上可接受的盐或溶剂： 还提供了包含式(I)化合物的组合物。这些化合物和组合物还可用作药物，例如用于治疗由单酰基甘油脂酶（MAGL）调节的疾病的药物。还提供了利用这些化合物和组合物来抑制单酰基甘油脂酶（MAGL）的用途。
• [EN] KETOLIDE COMPOUNDS<br/>[FR] COMPOSÉS CÉTOLIDES
  申请人：WOCKHARDT LTD

  公开号：WO2012076989A1

  公开（公告）日：2012-06-14

  The invention relates to ketolide compounds of Formula (I) and their pharmaceutically acceptable salts, solvates, hydrates, polymorphs and stereoisomers having antimicrobial activity. The invention also provides pharmaceutical compositions containing the compounds of invention and methods of treating or preventing microbial infections with the compounds of invention, wherein, T is -C*H(R1)-P-Q; R1 is hydrogen; unsubstituted or substituted lower alkyl, cycloalkyl or aryl; P is heteroaryl ring; Q is unsubstituted or substituted aryl or heteroaryl ring; and P is attached to Q via carbon-carbon link; and R3 is hydrogen or fluorine, With the provision that when R1 is hydrogen, R3 is fluorine.

  该发明涉及具有抗微生物活性的Formula (I)的酮酰胺化合物及其药用可接受的盐、溶剂化合物、水合物、多型和立体异构体。该发明还提供含有该发明化合物的药物组合物以及使用该发明化合物治疗或预防微生物感染的方法，其中，T为-C*H(R1)-P-Q；R1为氢；未取代或取代的较低烷基、环烷基或芳基；P为杂环芳基环；Q为未取代或取代的芳基或杂环芳基环；P通过碳-碳键连接到Q；R3为氢或氟，但当R1为氢时，R3为氟。
• [EN] KETOLIDE COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY<br/>[FR] COMPOSÉS KÉTOLIDES À ACTIVITÉ ANTIMICROBIENNE
  申请人：WOCKHARDT RESEARCH CENTER

  公开号：WO2010136971A1

  公开（公告）日：2010-12-02

  The invention relates to ketolide compound of Formula (I) and the pharmaceutically acceptable salts thereof having antimicrobial activity. The invention also provides pharmaceutical compositions containing the compounds of invention and methods of treating or preventing microbial infections with the compound of invention.

  该发明涉及具有抗微生物活性的式(I)的酮酰胺化合物及其药学上可接受的盐。该发明还提供含有所述化合物的药物组合物以及使用所述化合物治疗或预防微生物感染的方法。
• Ketolide Compounds Having Antimicrobial Activity
  申请人：Trivedi Bharat Kalidas

  公开号：US20120142710A1

  公开（公告）日：2012-06-07

  The invention relates to ketolide compound of Formula-I and the pharmaceutically acceptable salts thereof having antimicrobial activity. The invention also provides pharmaceutical compositions containing the compounds of invention and methods of treating or preventing microbial infections with the compound of invention.

  该发明涉及具有抗微生物活性的Formula-I的酮酸化合物及其药用可接受的盐。该发明还提供含有该发明化合物的药物组合物以及使用该发明化合合物治疗或预防微生物感染的方法。