2-丙酰基吡啶 | 3238-55-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-丙酰基吡啶
• 中文别名: 1-(吡啶-2-基)-1-丙酮
• 英文名称: 2-propionylpyridine
• 英文别名: 1-(pyridin-2-yl)propan-1-one；1-(2-pyridyl)-1-propanone；2-propanoylpyridine；ethyl (pyrid-2-yl)-ketone；1-pyridin-2-ylpropan-1-one
• CAS: 3238-55-9
• 化学式: C₈H₉NO
• mdl: MFCD00023486
• 分子量: 135.166
• InChiKey: ZHAZHKPVEROFLH-UHFFFAOYSA-N

物化性质

• 熔点：
  206-207 °C
• 沸点：
  95-100 °C(Press: 15 Torr)
• 密度：
  1.034±0.06 g/cm3(Predicted)
• 保留指数：
  1165;1102;1114

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-(Pyridin-2-yl)propan-1-one
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-(Pyridin-2-yl)propan-1-one
CAS number: 3238-55-9

---

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: C8H9NO
Molecular weight: 135.2

---

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-丙酰基吡啶 在 Rh/Al₂O₃ 盐酸 、 氢气 、 对甲苯磺酸 作用下， 以 乙醇 、 丙酮 、 甲苯 为溶剂， 反应 107.0h， 生成 1-哌啶-2-基丙烷-1-酮
  参考文献：
  名称：

  Volatile Constituents of Semnostachya menglaensis Tsui

  摘要：

  Semnostachya menglaensis Tsui (Acanthaceae) is a rare plant indigenous to Mengla in the tropical rainforest of the Xishuangbanna prefecture in the south of Yunnan province, People's Republic of China. When the leaves are crushed, a characteristic smell of basmati rice or pandan leaves develops. Their hexane extract, prepared from a specimen growing in a greenhouse of the botanical garden of the Kunming Institute of Botany, contains 1-(3,4,5,6-tetrahydro-2-pyridyl)-1-propanone (41.2%) and 1-(1,4,5,6-tetrahydro-2-pyridyl)-1-propanone (37.5%) which constitute the main part of the volatile compounds. Minor components are 1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone (4.9%), 1-(1,4,5,6-tetrahydro-2-pyridyl)-1-ethanone (4.8%), 1-(2-piperidyl)-1-propanone (5.2%), 1-octen-3-ol (3.2%), 1-octen-3-one (1.9%), and 3-octanol and 1-(2-pyridyl)-1-propanone in trace amounts.

  DOI：

  10.1021/jf051632d
• 作为产物：
  描述：

  2-丙基吡啶 在 吡啶 、 N-羟基邻苯二甲酰亚胺 、 tetrabutylammonium tetrafluoroborate 、 氧气 作用下， 以 2,2,2-三氟乙醇 、 乙腈 为溶剂， 以72%的产率得到2-丙酰基吡啶
  参考文献：
  名称：

  芳烃的选择性电化学氧化及单/多羰基化合物的制备

  摘要：

  在温和条件下开发了选择性电化学氧化。凭借这种电化学氧化，可以从不同的芳烃以中等至优异的产率和选择性制备各种单羰基和多羰基化合物。生成的羰基化合物可以在一锅反应中进一步转化为α-酮酰胺、高烯丙醇和肟。特别是，在单锅连续电解中制备了一系列 α-酮酰胺。机理研究表明，2,2,2-trifluoroethan-1-ol (TFE) 可以与催化剂物种相互作用并生成相应的氢键配合物，以提高电化学氧化性能。

  DOI：

  10.1007/s11426-021-1061-x
• 作为试剂：
  描述：

  2-氰基吡啶 、 ISOBUTYLMAGNESIUM BROMIDE 、 乙醚 在 氩 、 盐酸 、 水 、 乙酸乙酯 、 Sodium sulfate-III 、 silica gel 、 hexanes 、 2-丙酰基吡啶 作用下， 反应 4.25h， 以to afford 1.40 g product 1-(pyridin-2-yl)propan-1-one as colorless oil的产率得到2-丙酰基吡啶
  参考文献：
  名称：

  SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION

  摘要：

  本发明提供了包含取代氨基噻唑衍生物的药物组合物。这些取代氨基噻唑衍生物在治疗与不受调控的细胞生长相关的疾病方面具有疾病修饰作用。这些疾病包括肝细胞癌以及由乙型肝炎病毒引起的病毒感染。

  公开号：

  US20140249154A1

文献信息

• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Selective Electrochemical Oxygenation of Alkylarenes to Carbonyls
  作者：Xue Li、Fang Bai、Chaogan Liu、Xiaowei Ma、Chengzhi Gu、Bin Dai

  DOI：10.1021/acs.orglett.1c02651

  日期：2021.10.1

  An efficient electrochemical method for benzylic C(sp3)–H bond oxidation has been developed. A variety of methylarenes, methylheteroarenes, and benzylic (hetero)methylenes could be converted into the desired aryl aldehydes and aryl ketones in moderate to excellent yields in an undivided cell, using O2 as the oxygen source and lutidinium perchlorate as an electrolyte. On the basis of cyclic voltammetry

  已经开发了一种用于苄基 C(sp 3 )-H 键氧化的有效电化学方法。各种甲基芳烃、甲基杂芳烃和苄基（杂）亚甲基可以在未分割的电池中以中等至极好的收率转化为所需的芳醛和芳酮，使用 O 2作为氧源，高氯酸镥作为电解质。在循环伏安法研究、18 O 标记实验和自由基捕获实验的基础上，提出了一种可能的单电子转移机制用于电氧化反应。
• [EN] FUSED DERIVATIVES AS ?I3?d INHIBITORS<br/>[FR] DÉRIVÉS CONDENSÉS EN TANT QU'INHIBITEURS DE ?I3??
  申请人：INCYTE CORP

  公开号：WO2011130342A1

  公开（公告）日：2011-10-20

  The present invention provides fused derivatives that modulate the activity of phosphoinositide 3-kinases (PI3Ks) and are useful in the treatment of diseases related to the activity of PI3Ks including, for example, inflammatory disorders, immune-based disorders, cancer, and other diseases.

  本发明提供了融合衍生物，可以调节磷脂酰肌醇3-激酶（PI3Ks）的活性，并且在治疗与PI3Ks活性相关的疾病方面具有用处，例如炎症性疾病、免疫性疾病、癌症和其他疾病。
• Cu-Catalyzed [3 + 3] Annulation for the Synthesis of Pyrimidines via β-C(sp³)–H Functionalization of Saturated Ketones
  作者：Jun-Long Zhan、Meng-Wei Wu、Fei Chen、Bing Han

  DOI：10.1021/acs.joc.6b02181

  日期：2016.12.2

  A novel, efficient, and facile approach for the synthesis of structurally important pyrimidines has been successfully developed by Cu-catalyzed and 4-HO-TEMPO-mediated [3 + 3] annulation of commercially available amidines with saturated ketones. This method provides a new protocol for the synthesis of pyrimidines by a cascade reaction of oxidative dehydrogenation/annulation/oxidative aromatization

  通过Cu催化和4-HO-TEMPO介导的[3 + 3]环戊烷与饱和酮的合成，已成功开发出一种新颖，高效且简便的方法，用于合成结构上重要的嘧啶。该方法为氧化嘧啶脱氢/环化/氧化芳构化的级联反应提供了一个新的协议，该反应通过饱和酮的直接β-C（sp 3）-H官能化，然后与am进行环氧化而进行。
• Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors
  申请人：Perrissoud Daniel

  公开号：US20070037857A1

  公开（公告）日：2007-02-15

  The present invention provides novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors according to formula (I) that are useful in the treatment or prophylaxis of physiological and/or pathophysiological conditions in mammals, preferably humans, that are mediated by GHS receptors. The present invention further provides GHS receptor antagonists and agonists that can be used for modulation of these receptors and are useful for treating above conditions, in particular growth retardation, cachexia, short-, medium- and/or long term regulation of energy balance; short-, medium- and/or long term regulation (stimulation and/or inhibition) of food intake; adipogenesis, adiposity and/or obesity; body weight gain and/or reduction; diabetes, diabetes type I, diabetes type II, tumor cell proliferation; inflammation, inflammatory effects, gastric postoperative ileus, postoperative ileus and/or gastrectomy (ghrelin replacement therapy).

  本发明提供了一种新型的三唑衍生物，作为生长激素分泌素受体的胃泌素类似物配体，其符合以下公式（I），可用于治疗或预防哺乳动物，尤其是人类，通过GHS受体介导的生理和/或病理条件。本发明还提供了可用于调节这些受体并用于治疗上述疾病的GHS受体拮抗剂和激动剂，特别是生长迟缓、虚弱、短期、中期和/或长期能量平衡的调节；短期、中期和/或长期食物摄入的调节（刺激和/或抑制）；脂肪生成、脂肪堆积和/或肥胖；体重增加和/或减少；糖尿病、糖尿病I型、糖尿病II型、肿瘤细胞增殖；炎症、炎症效应、胃术后肠梗阻、术后肠梗阻和/或胃切除（胃泌素替代疗法）。

表征谱图