2,5-二氯吡啶-4-醛 | 102645-33-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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: 2,5-二氯吡啶-4-醛
• 中文别名: 2,5-二氯-4-甲酰基吡啶；2,5-二氯异烟醛；2,5-二氯-4-醛基吡啶；2,5-二氯吡啶-4-甲醛
• 英文名称: 2,5-dichloropyridine-4-aldehyde
• 英文别名: 2,5-Dichloroisonicotinaldehyde；2,5-dichloropyridine-4-carbaldehyde
• CAS: 102645-33-0
• 化学式: C₆H₃Cl₂NO
• mdl: MFCD06410679
• 分子量: 176.002
• InChiKey: UIPSRNHDSBVXHY-UHFFFAOYSA-N

物化性质

• 熔点：
  73-74°
• 沸点：
  256.3±35.0 °C(Predicted)
• 密度：
  1.488±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)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥环境中使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,5-Dichloro-4-formylpyridine
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: 2,5-Dichloro-4-formylpyridine
CAS number: 102645-33-0

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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: C6H3Cl2NO
Molecular weight: 176

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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, hydrogen chloride.

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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：

  2,5-二氯吡啶-4-醛 在 sulfur 、 cesium fluoride 作用下， 以 二甲基亚砜 为溶剂， 反应 2.58h， 生成 2-(5-chloro-2-piperazin-1-ylpyridin-4-yl)-1-methyl-1H-benzimidazole
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES
  [FR] DÉRIVÉS DE BENZIMIDAZOLE

  摘要：

  公开号：

  WO2011027249A3
• 作为产物：
  描述：

  2,5-二氯吡啶 、 N,N-二甲基甲酰胺 在 正丁基锂 、 二异丙胺 、 盐酸 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 hexanes 为溶剂， 反应 4.5h， 生成 2,5-二氯吡啶-4-醛
  参考文献：
  名称：

  [EN] P38 KINASE INHIBITORS
  [FR] INHIBITEURS DE LA KINASE P38

  摘要：

  公式为（I）的化合物是p38激酶的抑制剂，可用于治疗由p38激酶活性介导或由p38活性产生的细胞因子介导的疾病或疾病状态。

  公开号：

  WO2005073232A1

文献信息

• Certain phenoxy-pyridine-carbonitriles having antiviral activity
  申请人：The Dow Chemical Company

  公开号：US04558134A1

  公开（公告）日：1985-12-10

  Substituted pyridines exhibiting antiviral activity are disclosed. Also disclosed are methods of use involving the substituted pyridines as well as compositions comprising a non-toxic, pharmaceutically-acceptable carrier in combination with one or more said substituted pyridines.

  揭示了具有抗病毒活性的取代吡啶。还公开了涉及所述取代吡啶的使用方法，以及包含非毒性、药用可接受载体与一个或多个所述取代吡啶的组合的组合物。
• Synthesis of Enantiomerically Pure Ring-Substituted <scp>l</scp>-Pyridylalanines by Biocatalytic Hydroamination
  作者：Syed T. Ahmed、Fabio Parmeggiani、Nicholas J. Weise、Sabine L. Flitsch、Nicholas J. Turner

  DOI：10.1021/acs.orglett.6b02559

  日期：2016.11.4

  Current routes to nitrogen-containing heteroarylalanines involve complex multistep synthesis and are often reliant on protection/deprotection steps and wasteful chromatographic purifications. In order to complement existing methodologies, a convenient telescopic strategy was developed for the synthesis of l-pyridylalanine analogues (12 examples) and other l-heteroarylalanines (5 examples) starting

  目前获得含氮杂芳基丙氨酸的路线涉及复杂的多步合成，并且通常依赖于保护/脱保护步骤和浪费的色谱纯化。为了补充现有方法，开发了一种方便的伸缩策略，用于从相应的醛开始合成l-吡啶基丙氨酸类似物（12 个实例）和其他l-杂芳基丙氨酸（5 个实例）。来自Anabaena variabilis的苯丙氨酸解氨酶 (PAL)被用作生物催化剂，通过在必要时使用额外的去消旋化级联反应，转化率在 88% 到 95% 之间，分离产率为 32-60% 和完美的对映纯度 (>99% ee) .
• 化合物、有机电致发光器件以及电子装置
  申请人：陕西莱特光电材料股份有限公司

  公开号：CN111004237A

  公开（公告）日：2020-04-14

  本申请属于OLED技术领域并提供了一种具有化学式1所示结构的化合物：其中，L1和L2各自独立地选自单键、C1‑C20亚烷基、C3‑C20亚环烷基、C6‑C30亚芳基、C3‑C30亚杂芳基；Ar1和Ar2各自独立地选自C1‑C20烷基、C‑C20环烷基、C6‑C30的芳基、C3‑C30杂芳基、Si(R1R2R3)。本申请提供以菲类稠环衍生物作为母核的化合物，化合物分子具有很强的平面延展性。化合物分子的强平面延展性能够增强材料的刚性，延长其使用寿命。此外，分子母核和芳基取代基易形成大的共轭体系，同时存在多个氮原子中心，分子内电子云密度增大，能够进一步调整HOMO能级至合适水平，进一步提高电子迁移率和跃迁速率，使有机电致发光器件均具有较高的器件效率。本申请还提供一种有机电致发光器件和电子装置。
• Mediators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto
  申请人：Guicherit Olivin M.

  公开号：US20090012082A1

  公开（公告）日：2009-01-08

  The present invention makes available methods and reagents for inhibiting aberrant growth states resulting from hedgehog gain-of-function, ptc loss-of-function or smoothened gain-of-function comprising contacting the cell with a hedgehog antagonist, such as a small molecule, in a sufficient amount to aberrant growth state, e.g., to agonize a normal ptc pathway or antagonize smoothened or hedgehog activity.

  本发明提供了用于抑制由于hedgehog增强功能、ptc失去功能或smoothened增强功能导致的异常生长状态的方法和试剂，包括将细胞与hedgehog拮抗剂（如小分子）接触，以足够的剂量抑制异常生长状态，例如，激活正常的ptc通路或拮抗smoothened或hedgehog活性。
• P38 kinase inhibitors
  申请人：Barker David Michael

  公开号：US20070161673A1

  公开（公告）日：2007-07-12

  Compounds of formula (I): are inhibitors of p38 kinase and are useful in the treatment of conditions or disease states mediated by p38 kinase activity or mediated by cytokines produced by the activity of p38.

  化合物的公式(I)：是p38激酶的抑制剂，可用于治疗由p38激酶活性介导或由p38活性产生的细胞因子介导的疾病状态或条件。