3-溴-6-氯-2-吡啶甲酸 | 929000-66-8

• 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: 3-溴-6-氯-2-吡啶甲酸
• 中文别名: 3-溴-6-氯吡啶-2-羧酸；2-羧酸-3-溴-6-氯吡啶；2-氯-5-溴吡啶-6-羧酸；3-溴-6-氯吡啶羧酸
• 英文名称: 3-bromo-6-chloropyridine-2-carboxylic acid
• 英文别名: 3-bromo-6-chloropicolinic acid；2-chloro-5-bromo picolinic acid；3-bromo-6-chloro-2-pyridinecarboxylic acid
• CAS: 929000-66-8
• 化学式: C₆H₃BrClNO₂
• 分子量: 236.452
• InChiKey: RDZPMWLHALUNCD-UHFFFAOYSA-N

物化性质

• 沸点：
  338.9±42.0 °C(Predicted)
• 密度：
  1.917

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 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：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Bromo-6-chloropicolinic acid
Synonyms: 3-Bromo-6-chloropyridine-2-carboxylic acid; 3-Bromo-6-chloro-2-pyridinecarboxylic acid;

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Bromo-6-chloropicolinic acid
CAS number: 929000-66-8

---

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: C6H3BrClNO2
Molecular weight: 236.5

---

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, hydrogen bromide.

---

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

制备方法与用途

3-溴-6-氯-2-吡啶甲酸可以作为有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。

反应信息

• 作为反应物：
  描述：

  3-溴-6-氯-2-吡啶甲酸 在 硫酸 、 过氧化脲素 、 三氟乙酸酐 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 11.0h， 生成 methyl 3-bromo-4,6-dichloro-pyridine-2-carboxylate
  参考文献：
  名称：

  发现[1,2,4]三唑并[1,5-a]吡啶衍生物为强效和口服生物利用的RORγt反向激动剂。

  摘要：

  视黄酸受体相关的孤儿核受体γt（RORγt）是一种有前途的治疗靶点，是与牛皮癣发病相关的基因的主要转录因子，例如白介素（IL）-17A，IL-22和IL-23R。基于RORγt与1a的X射线共晶体结构，设计并合成了已知的哌嗪RORγt逆激动剂1的类似物，并合成了1的三唑并吡啶衍生物，发现类似物3a是有效的RORγt逆激动剂。对3a的构效关系研究，专注于其代谢不稳定的环戊基环和中央哌嗪核心的治疗，导致了一个新的类似物，即6-甲基-N-（7-甲基-8-（（（2S， 4S）-2-甲基-1-（4,4,4-三氟-3-（三氟甲基）丁酰基）哌啶-4-基）氧基）[1,2,4]三唑[1,5-a]吡啶- 6-基）烟酰胺（5a），具有很强的RORγt抑制活性和良好的药代动力学特征。此外，在人全血分析和小鼠IL-18 / 23诱导的细胞因子表达模型中对5a的体外和体内评估显示出其对IL-17A产生的强大且剂量依赖性的抑制作用。

  DOI：

  10.1021/acsmedchemlett.9b00649
• 作为产物：
  描述：

  3-溴-6-氯吡啶-2-甲腈 在 硫酸 作用下， 反应 3.0h， 以89%的产率得到3-溴-6-氯-2-吡啶甲酸
  参考文献：
  名称：

  3-溴-6-氯-2-吡啶甲酸在防除杂草方面的用途

  摘要：

  本发明提供了3‑溴‑6‑氯2‑吡啶甲酸在防除杂草方面的用途，3‑溴‑6‑氯2‑吡啶甲酸的结构式如下： (I)。该化合物在75g/hm 2 剂量下对小藜有较好的抑制活性，可作为除草剂的候选化合物。

  公开号：

  CN110432274A

文献信息

• [EN] PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT<br/>[FR] INHIBITEUR DE PROTÉINE KINASES ET MÉTHODES DE TRAITEMENT
  申请人：INST MEDICAL W & E HALL

  公开号：WO2012003544A1

  公开（公告）日：2012-01-12

  The present invention relates to chemical compounds of formula (I) and methods for their use and preparation. In particular, the invention relates to substituted pyrazolo[3,4-d]pyrimidine based compounds which can be used in treating proliferative disorders, use of these compounds in methods of therapy and the manufacture of medicaments as well as compositions containing these compounds.

  本发明涉及化合物的化学式(I)以及其使用和制备方法。具体而言，本发明涉及基于取代的吡唑并[3,4-d]嘧啶的化合物，可用于治疗增殖性疾病，这些化合物在治疗方法中的使用以及药物的制造，以及含有这些化合物的组合物。
• HPK1 ANTAGONISTS AND USES THEREOF
  申请人：Nimbus Saturn, Inc.

  公开号：US20210078996A1

  公开（公告）日：2021-03-18

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制HPK1和治疗HPK1介导的疾病的方法。
• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：US20130096121A1

  公开（公告）日：2013-04-18

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bc1-xL proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bc1-xL protein.

  揭示了抑制抗凋亡Bc1-xL蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bc1-xL蛋白的疾病的方法。
• [EN] 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES<br/>[FR] 4-AMINOPICOLINATES ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：SYNGENTA LTD

  公开号：WO2010149956A1

  公开（公告）日：2010-12-29

  The present invention relates to substituted 4-aminopicolinates as well as N- oxides and agriculturally acceptable salts thereof, and their use in controlling plant growth, particularly undesirable plant growth, in crops of useful plants. The invention extends to herbicidal compositions comprising such compounds, N- oxides and/or salts as well as mixtures of the same with one or more further active ingredients and/or a safener.

  本发明涉及取代的4-氨基吡啶甲酸盐，以及它们的N-氧化物和农业上可接受的盐，以及它们在控制植物生长中的应用，特别是在有用植物作物中控制不需要的植物生长。本发明还包括含有此类化合物、N-氧化物和/或盐的除草组合物，以及与一个或多个其他活性成分和/或安全剂的混合物。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：SYNGENTA LTD

  公开号：WO2011144891A1

  公开（公告）日：2011-11-24

  The present invention relates to certain substituted picolinic acid derivatives, as well as N- oxides and agriculturally acceptable salts thereof, and their use in controlling plant growth, particularly undesirable plant growth, in crops of useful plants. The invention extends to herbicidal compositions comprising such compounds, N-oxides and/or salts as well as mixtures of the same with one or more further active ingredients and/or a safener.

  本发明涉及某些取代吡啶甲酸衍生物，以及它们的N-氧化物和农业上可接受的盐，以及它们在控制植物生长，特别是在有用植物作物中控制不需要的植物生长的应用。该发明还包括含有此类化合物、N-氧化物和/或盐的除草组合物，以及它们与一个或多个其他活性成分和/或安全剂的混合物。