2-(6-甲基吡啶-3-基)乙腈 | 52426-67-2

• 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: 2-(6-甲基吡啶-3-基)乙腈
• 中文别名: 3-甲氰基-6-甲基吡啶
• 英文名称: (6-methylpyridin-3-yl)-acetonitrile
• 英文别名: 2-(6-methylpyridin-3-yl)acetonitrile
• CAS: 52426-67-2
• 化学式: C₈H₈N₂
• mdl: MFCD09923952
• 分子量: 132.165
• InChiKey: ZTPNSVPRINUIGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  存储条件：2-8°C，密封保存，并置于干燥处。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-(6-Methylpyridin-3-yl)acetonitrile
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-(6-Methylpyridin-3-yl)acetonitrile
CAS number: 52426-67-2

---

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.
Storage: Store in closed vessels.

---

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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H8N2
Molecular weight: 132.2

---

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-(6-甲基吡啶-3-基)乙腈 在 盐酸 、 sodium tetrahydroborate 、 三氟化硼乙醚 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 26.0h， 生成 4-methyl-N-(2-(6-methylpyridin-3-yl)ethyl)aniline
  参考文献：
  名称：

  Dimebon及其四硫钼酸盐的合成

  摘要：

  Latrepirdine，也称为 dimebonin，以二盐酸盐的形式商业化，如 dimebon (10)，是一种自 1983 年以来在俄罗斯临床使用的抗组胺药。 Dimebon 是一种非选择性抗组胺药，具有增强认知能力且不抑制乙酰胆碱酯酶活性. 它在阿尔茨海默病和亨廷顿病的细胞模型中表现出神经保护活性，并在对 AF64A 损伤大鼠给药后保持认知功能。它保护神经元免受淀粉样前体蛋白 (APP) 的 b-淀粉样蛋白片段的神经毒性作用。2000 年，俄罗斯科学家建议使用 dimebon 减缓阿尔茨海默病 (AD) 轻度至中期的进展。在美国和 2009 年启动了大量临床研究，辉瑞和 Medivation 启动了一项旨在获得 FDA 批准的 III 期试验。然而，这些临床试验未能显示出迪美邦治疗 AD 患者的益处。同时，AD 研究已开始研究铜在 Ab 淀粉样肽在大脑中的聚集和毒性中的作用。研究表明，CuC2

  DOI：

  10.1080/00304948.2015.1025017
• 作为产物：
  描述：

  6-甲基烟酸甲酯 在 potassium cyanide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 21.0h， 生成 2-(6-甲基吡啶-3-基)乙腈
  参考文献：
  名称：

  Dimebon及其四硫钼酸盐的合成

  摘要：

  Latrepirdine，也称为 dimebonin，以二盐酸盐的形式商业化，如 dimebon (10)，是一种自 1983 年以来在俄罗斯临床使用的抗组胺药。 Dimebon 是一种非选择性抗组胺药，具有增强认知能力且不抑制乙酰胆碱酯酶活性. 它在阿尔茨海默病和亨廷顿病的细胞模型中表现出神经保护活性，并在对 AF64A 损伤大鼠给药后保持认知功能。它保护神经元免受淀粉样前体蛋白 (APP) 的 b-淀粉样蛋白片段的神经毒性作用。2000 年，俄罗斯科学家建议使用 dimebon 减缓阿尔茨海默病 (AD) 轻度至中期的进展。在美国和 2009 年启动了大量临床研究，辉瑞和 Medivation 启动了一项旨在获得 FDA 批准的 III 期试验。然而，这些临床试验未能显示出迪美邦治疗 AD 患者的益处。同时，AD 研究已开始研究铜在 Ab 淀粉样肽在大脑中的聚集和毒性中的作用。研究表明，CuC2

  DOI：

  10.1080/00304948.2015.1025017

文献信息

• Benzamides
  申请人：H. Lundbeck A/S

  公开号：US20140107340A1

  公开（公告）日：2014-04-17

  The present invention is directed to benzamide containing compounds which inhibit the P2X7 receptor

  本发明涉及含有抑制P2X7受体的苯甲酰胺类化合物。
• RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES
  申请人：Takabe Fumiaki

  公开号：US20110287937A1

  公开（公告）日：2011-11-24

  Provided are 2-pyridone derivatives which have excellent herbicidal activity and exhibit high safety to useful crops and so on; salts thereof; and herbicides containing same. In more detail, 2-pyridone derivatives represented by general formula [I] or agrochemically acceptable salts thereof, and herbicides containing these compounds are provided. In general formula [I], X 1 is an oxygen atom or a sulfur atom; X 2 , X 3 , and X 4 are to each CH or N(O) m ; m is an integer of 0 or 1; R 1 is a hydrogen atom, a C 1-12 alkyl group, or the like; R 2 is a halogen atom, a cyano group, or the like; n is an integer of 0 to 4; R 3 is a hydroxyl group, a halogen atom, or the like; A 1 is C(R 11 R 12 ); A 2 is C(R 13 R 14 ) or C═O; A 3 is C(R 15 R 16 ); and R 11 , R 12 , R 13 , R 14 , R 15 , and R 16 are each independently a hydrogen atom or a C 1-6 alkyl group.

  提供了具有优异除草活性并对有用作物等表现出高安全性的2-吡啶酮衍生物；其盐；以及含有这些化合物的除草剂。更详细地说，提供了通式[I]所表示的2-吡啶酮衍生物或其农药可接受的盐，以及含有这些化合物的除草剂。在通式[I]中，X1是氧原子或硫原子；X2、X3和X4分别为CH或N(O)m；m是0或1的整数；R1是氢原子，C1-12烷基或类似物；R2是卤素原子，氰基或类似物；n是0到4的整数；R3是羟基，卤素原子或类似物；A1是C(R11R12)；A2是C(R13R14)或C═O；A3是C(R15R16)；R11、R12、R13、R14、R15和R16分别独立地是氢原子或C1-6烷基基团。
• Rapid and Simple Access to α-(Hetero)arylacetonitriles from <i>Gem</i>-Difluoroalkenes
  作者：Jun-Qi Zhang、Jiayue Liu、Dandan Hu、Jinyu Song、Guorong Zhu、Hongjun Ren

  DOI：10.1021/acs.orglett.1c04336

  日期：2022.1.21

  A scalable cyanation of gem-difluoroalkenes to (hetero)arylacetonitrile derivatives was developed. This strategy features mild reaction conditions, excellent yields, wide substrate scope, and broad functional group tolerance. Significantly, in this reaction, aqueous ammonia offers a “N” source for the “CN” reagent and entirely avoids the use of toxic cyanating reagents or metal catalysis. Hence, we

  开发了一种可扩展的偕二氟烯烃氰化为（杂）芳基乙腈衍生物的方法。该策略具有反应条件温和、产率高、底物范围广、官能团耐受性广等特点。值得注意的是，在该反应中，氨水为“CN”试剂提供了“N”源，并且完全避免使用有毒的氰化试剂或金属催化剂。因此，我们为芳基乙腈的合成提供了一种绿色替代方法。
• [EN] PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS<br/>[FR] PYRROLIDINE-PYRAZOLES EN TANT QU'ACTIVATEURS DE LA PYRUVATE KINASE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2021202796A1

  公开（公告）日：2021-10-07

  The subject matter described herein is directed to pyruvate kinase activating compounds of Formula I and pharmaceutical salts thereof, methods of preparing the compounds, pharmaceutical compositions comprising the compounds and methods of administering the compounds for the treatment of diseases associated with PKR and/or PKM2, such as pyruvate kinase deficiency, sickle cell disease, and beta-thalassemia.

  本文描述的主题是针对式I的丙酮酸激酶激活化合物及其药用盐，制备这些化合物的方法，包含这些化合物的药物组合物以及用于治疗与PKR和/或PKM2相关疾病的化合物的给药方法，例如丙酮酸激酶缺乏症、镰状细胞病和β地中海贫血。
• [EN] FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN<br/>[FR] COMPOSÉS TRICYCLIQUES ACCOLÉS INHIBITEURS DE LA CIBLE MAMMIFÈRE DE LA RAPAMYCINE
  申请人：SCHERING CORP

  公开号：WO2012047569A1

  公开（公告）日：2012-04-12

  This invention relates to novel fused tricyclic compounds that are inhibitors of mammalian Target of Rapamycin (mTOR) kinase, which is also known as FRAP, RAFT, RAPT or SEP, and are useful in the treatment of cellular proliferative diseases, for example cancer and other proliferative disorders.

  这项发明涉及一种新型融合三环化合物，它们是哺乳动物雷帕霉素靶点（mTOR）激酶的抑制剂，也被称为FRAP、RAFT、RAPT或SEP，并且在治疗细胞增殖性疾病中很有用，例如癌症和其他增殖性疾病。