6-(3-三氟甲基)苯氧基-2-吡啶甲酸 | 137640-84-7

• 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 - 有机氧化合物
• 中文名称: 6-(3-三氟甲基)苯氧基-2-吡啶甲酸
• 中文别名: 6-[3-(三氟甲基)苯氧基]-2-吡啶羧酸
• 英文名称: 2-(3-trifluoromethylphenoxy)-6-pyridinecarboxylic acid
• 英文别名: 6-(3-α,α,α-trifluoromethylphenoxy)picolinic acid；6-(3-(Trifluoromethyl)phenoxy)picolinic acid；6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
• CAS: 137640-84-7
• 化学式: C₁₃H₈F₃NO₃
• 分子量: 283.207
• InChiKey: LFRASJXUIQMIMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  7

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

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Section 1. Identification of the substance
Product Name: 6-(3-(Trifluoromethyl)phenoxy)picolinic acid
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: 6-(3-(Trifluoromethyl)phenoxy)picolinic acid
CAS number: 137640-84-7

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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.
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: C13H8F3NO3
Molecular weight: 283.2

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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 fluoride.

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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：

  6-(3-三氟甲基)苯氧基-2-吡啶甲酸 在 吡啶 、 三光气 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 2-(3-trifluoromethylphenoxy)-6-pyridinecarbonyl chloride
  参考文献：
  名称：

  一种氟吡酰草胺的制备方法

  摘要：

  本发明公开一种氟吡酰草胺的制备方法，属于农药原药工艺领域，按照下述步骤实施：(1)、2‑氯‑6‑三氯甲基吡啶为原料，经酸催化水解合成2‑氯‑6‑羧酸吡啶；(2)、2‑氯‑6‑羧酸吡啶与间三氟甲基苯酚在碱1，催化剂，有机溶剂1条件下进行醚化反应得到2‑(3‑三氟甲基苯氧基)‑6‑吡啶甲酸；(3)、2‑(3‑三氟甲基苯氧基)‑6‑吡啶甲酸在碱2，有机溶剂2中与双(三氯甲基)羰酸二甲酯反应合成中间体2‑(3‑三氟甲基苯氧基)‑6‑吡啶甲酰氯；(4)、中间体2‑(3‑三氟甲基苯氧基)‑6‑吡啶甲酰氯与4‑氟苯胺在碱3和有机溶剂2下反应制备氟吡酰草胺。所得吡氟草胺产品含量为98.1％，收率83％，合成条件温和、安全，操作过程易于控制，后处理简便，废水量少，是制备氟吡酰草胺的绿色合成方法。

  公开号：

  CN108530351A
• 作为产物：
  描述：

  2-(3-trifluoromethylphenoxy)-6-trichloromethylpyridine 在 盐酸 、 水 作用下， 反应 8.0h， 以91%的产率得到6-(3-三氟甲基)苯氧基-2-吡啶甲酸
  参考文献：
  名称：

  一种氟吡草胺的合成方法

  摘要：

  本发明提供了一种氟吡草胺的合成方法，包括以下步骤：2‑氯‑6‑三氯甲基吡啶（式II）与3‑三氟甲基苯酚（式III）反应生成2‑（3‑三氟甲基苯氧基）‑6‑三氯甲基吡啶（式IV）；2‑（3‑三氟甲基苯氧基）‑6‑三氯甲基吡啶（式IV）转化为2‑（3‑三氟甲基苯氧基）‑6‑吡啶甲酰氯（式V）；2‑（3‑三氟甲基苯氧基）‑6‑吡啶甲酰氯（式V）与4‑氟苯胺反应生成氟吡草胺（式I）。本发明的合成方法通过采用合成关键中间体2‑（3‑三氟甲基苯氧基）‑6‑三氯甲基吡啶（式IV）方式，较好地简化了反应路线，且反应条件易达，产品收率高，具有良好的科研价值和工业应用潜力。

  公开号：

  CN107382847A

文献信息

• 6-(Nonsubstituted or substituted) phenoxy picolinic acids, process of preparing the same, and agricultural/horticultural germicides containing the same
  申请人：Kureha Kagaku Kabushiki Kaisha

  公开号：US06200933B1

  公开（公告）日：2001-03-13

  An agricultural or horticultural fungicide containing 6-(unsubstituted or substituted) phenoxy picolinic acid represented by the general formula (I), as an effective ingredient. wherein R is a halogen atom, a C1 to C4 alkyl group, a C1 to C4 haloalkyl group, a C1 to C4 alkoxy group, a C1 to C4 haloalkoxy group, a C1 to C4 alkylthio group, a C1 to C4 alkylamino group, a di(C1 to C4 alkyl)amino group or a C7 to C8 aralkyl(C1 to C4 alkyl)amino group; n2 is an integer of 0 to 3; Y is a C1 to C4 alkyl group, a C1 to C4 haloalkyl group, a C1 to C4 alkoxy group, a C1 to C4 haloalkoxy group, a C1 to C4 alkylthio group, a C1 to C4 haloalkylthio group or a halogen atom; and m is an integer of 0 to 5, and when m and n2 are not less than 2, Rs and Ys may be the same or different, respectively. The compound is useful as an effective ingredient of agricultural or horticultural fungicides.

  一种包含6-(未取代或取代)苯氧基吡啶甲酸的农业或园艺杀菌剂，其通式为(I)，作为有效成分。其中R是卤素原子，C1至C4烷基，C1至C4卤代烷基，C1至C4烷氧基，C1至C4卤代烷氧基，C1至C4烷硫基，C1至C4烷基胺基，二(C1至C4烷基)胺基或C7至C8芳基(C1至C4烷基)胺基；n2为0至3的整数；Y为C1至C4烷基，C1至C4卤代烷基，C1至C4烷氧基，C1至C4卤代烷氧基，C1至C4烷硫基，C1至C4卤代烷硫基或卤素原子；m为0至5的整数，当m和n2均不小于2时，Rs和Ys可以分别相同或不同。该化合物可作为农业或园艺杀菌剂的有效成分。
• 6-phenoxy picolinic acid alkylidene hydrazide derivative, process for
  申请人：Kureha Kagaku Kogyo Kabushiki Kaisha

  公开号：US06159901A1

  公开（公告）日：2000-12-12

  A 6-phenoxy picolinic acid alkylidene hydrazide derivative, a process for producing the derivative and a herbicide containing the derivative as an effective ingredient. Such a compound is a novel compound and is useful as an effective ingredient of herbicides.

  一种6-苯氧基吡啶甲酸烷基亚肼衍生物，一种制备该衍生物的方法以及一种含有该衍生物作为有效成分的除草剂。这种化合物是一种新颖的化合物，可作为除草剂的有效成分。
• 一种2-取代苯氧基-6-吡啶甲酰氯的制备方法及氟吡酰草胺的制备方法
  申请人：河北大学

  公开号：CN108794390A

  公开（公告）日：2018-11-13

  本发明提供了一种2‑取代苯氧基‑6‑吡啶甲酰氯的制备方法及氟吡酰草胺的制备方法，采用双(三氯甲基)碳酸酯（固体光气）作为氯化试剂进行2‑(3‑三氟甲基苯氧基)‑6‑吡啶甲酸的酰氯化反应。本发明方法合成条件温和、安全，操作过程易于控制，后处理简便，废水量少，对环境友好，避免使用二氯亚砜等腐蚀性反应物，减少了如二氧化硫和氯化氢等污染性气体的排放和废水的排放，降低了对设备的要求，简化了操作，利于改进氟吡酰草胺除草剂的制备方法，具有广泛的应用前景。
• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06127390A1

  公开（公告）日：2000-10-03

  The present invention is directed to compounds which inhibit prenyl-protein transferase (FTase) and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制戊二醇蛋白转移酶（FTase）和致癌基因蛋白Ras的预醇化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及抑制戊二醇蛋白转移酶和致癌基因蛋白Ras的方法。
• Herbicidal carboxamide compounds
  申请人：Shell Research Limited

  公开号：US05384305A1

  公开（公告）日：1995-01-24

  Compounds of the formula ##STR1## wherein n is 1 to 5 and the/each X is hydrogen, halogen, cyano, nitro, optionally substituted alkyl or alkoxy alkenyloxy, alkynyloxy, haloalkylthio, alkenylthio or alkynylthio; m is 0 or 1 to 3 and the/each Y is halogen, alkyl or haloalkyl; Z is oxygen or sulphur; and R.sup.1 and R.sup.2 each, independently, is hydrogen, alkyl optionally substituted by halogen, hydroxy, cyano, alkoxy, alkylthio, alkoxycarbonyl, or mono- or di-alkylamino, alkenyl, alkynyl, hydroxy, alkoxy, alkenyloxy, alkynyloxy, alkoxycarbonyl, amino, mono- or di-alkylamino, alkoxycarbonylamino, arylamino, dialkylcarbamoyl, cycloalkyl, or optionally substituted cycloalkylalkyl; or R.sup.1 and R.sup.2 together form an alkylene chain optionally interrupted by oxygen, sulphur or --NR--, R being hydrogen or alkyl; are herbicides.

  该化合物的结构式为##STR1##其中n为1至5，每个X为氢、卤素、氰基、硝基、可选择取代的烷基或烷氧基、烯基氧基、炔基氧基、卤代烷基硫、烯基硫或炔基硫；m为0或1至3，每个Y为卤素、烷基或卤代烷基；Z为氧或硫；R.sup.1和R.sup.2各自独立地为氢、可选择取代的烷基（可被卤素、羟基、氰基、烷氧基、烷基硫、烷氧羰基、单烷基或二烷基氨基、烯基、炔基、羟基、烷氧基、烯基氧基、炔基氧基、烷氧羰基、氨基、单烷基或二烷基氨基、烷氧羰基氨基、芳基氨基、二烷基氨基甲酰基、环烷基或可选择取代的环烷基烷基）；或R.sup.1和R.sup.2一起形成一个由氧、硫或-NR-间断的烷基链，其中R为氢或烷基；它们是除草剂。