2,5-二氯-3-甲基吡啶 | 59782-88-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 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-3-甲基吡啶
• 中文别名: 2,3-二氯-5-甲基吡啶
• 英文名称: 2,5-Dichloro-3-methylpyridine
• 英文别名: 3-Methyl-2,5-dichloro-pyridine；2,5-dichloro-3-methyl-pyridine；3-methyl-2,5-dichloropyridine；2,5-Dichlorpicolin
• CAS: 59782-88-6
• 化学式: C₆H₅Cl₂N
• mdl: MFCD03840754
• 分子量: 162.018
• InChiKey: HZOPYQZRWCJGDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,5-Dichloro-3-methylpyridine
Synonyms: 2,5-Dichloro-m-picoline

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,5-Dichloro-3-methylpyridine
CAS number: 59782-88-6

---

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: C6H5Cl2N
Molecular weight: 162

---

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.

---

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：

  2,5-二氯-3-甲基吡啶 在 双氧水 、 乙酸酐 、 三氟乙酸酐 作用下， 以50%的产率得到2,5-dichloro-3-methylpyridine N-oxide
  参考文献：
  名称：

  Synthesis of dihalopicoline N-oxides and their 4-nitro derivatives

  摘要：

  DOI：

  10.1007/bf01169229
• 作为产物：
  描述：

  2-氯-3-甲基-5-硝基吡啶 在 镍 盐酸 、 一水合肼 、 copper(l) chloride 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 0.84h， 生成 2,5-二氯-3-甲基吡啶
  参考文献：
  名称：

  Synthesis of dihalopicoline N-oxides and their 4-nitro derivatives

  摘要：

  DOI：

  10.1007/bf01169229

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION
  申请人：ALETRU Michel

  公开号：US20090170894A1

  公开（公告）日：2009-07-02

  The present invention is related to a compound of formula (I) wherein R 1a , R 1b , R 1c , R 1d , R 2a , R 2b , R 3 , R 4 , p, r and are as defined herein, its preparation, pharmaceutical composition and use as a modulator of the activity of the 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1).

  本发明涉及一种公式的化合物(I)，其中R1a，R1b，R1c，R1d，R2a，R2b，R3，R4，p，r和q如本文所述，其制备、药物组合物及其作为11β-羟基类固醇脱氢酶1(11βHSD1)活性调节剂的应用。
• Convenient approaches to heterocycles via copper-catalysed additions of organic polyhalides to activated olefins
  作者：Pierre Martin、Eginhard Steiner、Jacques Streith、Tammo Winkler、Daniel Bellš

  DOI：10.1016/s0040-4020(01)97184-4

  日期：1985.1

  An efficient method for the synthesis of 2,3-dichloro-5-substituted (Cl, CF3, alkyl) pyridines starting from the 1:1 adducts of the copper-catalysed addition of chloral or the corresponding 2,2-dichloroaldehydes to acrylonitrile is presented. Proper choice of experimental conditions allows the preparation of in a one-pot process. Similarly, the CuCl-catalysed reaction of methyl itaconate with several

  一种有效的方法，从铜催化的氯醛或相应的2,2-二氯醛向丙烯腈的加成反应的1：1加合物开始，合成2,3-二氯-5-取代的（Cl，CF 3，烷基）吡啶被表达。正确选择实验条件可以在一锅法中进行制备。类似地，衣康酸甲酯与几种三氯甲基化合物R-CCl 3的CuCl催化反应通过脱卤作用和随后的1：1加合物的热闭环反应，得到了6-R-取代的2-吡喃酮衍生物。新型亲电子2-吡喃酮进行[4 + 2]-环加成反应，并与许多烯烃和乙炔进行逆电子需求，从而可以从简单的氟利昂衍生物（1,1,1-三氯-2,2,2-三氟乙烷）区域选择性转移三氟甲基变成更复杂的有机分子。最后，三氯乙酰氯与丙烯酸甲酯的1：1加合物可以非常方便地合成焦谷氨酸和脯氨酸的新型N-取代衍生物。
• Process for the production of chloropyridines substituted by methyl,
  申请人：Ciba-Geigy Corporation

  公开号：US04469896A1

  公开（公告）日：1984-09-04

  Chloropyridines of the formula ##STR1## wherein either R is chlorine and R' is methyl or trifluoromethyl, or R is methyl, trichloromethyl or trifluoromethyl and R' is chlorine, or R and R' are methyl, can be obtained by a novel, simple process by the addition of trichloroacetaldehyde to methacrylonitrile or .alpha.-trifluoromethacrylonitrile, 2,2-dichloropropionaldehyde, pentachloropropionaldehyde or 2,2-dichloro-3,3,3-trifluoropropionaldehyde to acrylonitrile, or 2,2-dichloropropionaldehyde to methacrylonitrile, in the presence of a catalyst, in particular copper powder or copper(I) chloride, and cyclizing the open-chain intermediate obtained. The chloropyridines of the formula (I) are known per se and are suitable for the production of different compounds, in particular of insecticides and herbicides.

  公式为##STR1##的氯吡啶，其中R为氯且R'为甲基或三氟甲基，或R为甲基、三氯甲基或三氟甲基且R'为氯，或R和R'为甲基，可通过一种新颖简单的方法获得，即将三氯乙醛加入甲基丙烯腈或α-三氟甲基丙烯腈、2,2-二氯丙醛、五氯丙醛或2,2-二氯-3,3,3-三氟丙醛加入丙烯腈，或将2,2-二氯丙醛加入甲基丙烯腈，在催化剂的存在下，特别是在铜粉或氯化铜(I)的存在下，并使得得到的开链中间体环化。公式(I)的氯吡啶本身是已知的，并适用于生产不同化合物，特别是杀虫剂和除草剂的生产。

表征谱图