2-氨基-5-氟苯甲酸甲酯 | 319-24-4

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯甲酸系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-5-氟苯甲酸甲酯
• 英文名称: 2-amino-5-fluoro-benzoic acid methyl ester
• 英文别名: methyl 2-amino-5-fluoro-benzoate；methyl 5-fluoroanthranilate；Methyl 2-amino-5-fluorobenzoate
• CAS: 319-24-4
• 化学式: C₈H₈FNO₂
• mdl: MFCD03791308
• 分子量: 169.155
• InChiKey: PUDDYSBKCDKATP-UHFFFAOYSA-N

物化性质

• 熔点：
  34-37°C
• 沸点：
  100-102°C 0,5mm
• 密度：
  1,26 g/cm3
• 闪点：
  132°C
• LogP：
  2.4-2.47 at 20-25℃
• 表面张力：
  53.1mN/m at 1g/L and 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 安全说明：
  S22,S24/25
• 危险类别码：
  R52/53
• 海关编码：
  2922499990
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 2-amino-5-fluorobenzoate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H402: Harmful to aquatic life
H412: Harmful to aquatic life with long lasting effects
P273: Avoid release to the environment

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Section 3. Composition/information on ingredients.
Ingredient name: Methyl 2-amino-5-fluorobenzoate
CAS number: 319-24-4

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H8FNO2
Molecular weight: 169.2

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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：

  2-氨基-5-氟苯甲酸甲酯 在 吡啶 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 5 -fluoro-2-((4-methylphenyl)sulfonamido)benzoic acid
  参考文献：
  名称：

  酚醛酯与烷基溴化物的镍催化定向交叉亲电偶联

  摘要：

  在本文中，我们证明了在各种伯和仲未活化烷基溴的反应中，成功使用了强健的酚酯作为亲电子酰基源。相邻的羟基或磺酰胺部分可促进相对惰性的C-O键的裂解。通过避免使用预生成的有机金属，该方法可以有效地制备具有高相容性和广泛功能的各种邻羟基和甲苯磺酰基保护的邻氨基芳基酮。

  DOI：

  10.1021/acs.orglett.0c03342
• 作为产物：
  描述：

  2-硝基-5-氟苯甲酸甲酯 在 钯 氢气 、 silica gel 、 乙酸乙酯 、 hexanes 作用下， 以 甲醇 为溶剂， 反应 120.0h， 以afforded 19.7 g (88%) of the title compound as a yellow oil的产率得到2-氨基-5-氟苯甲酸甲酯
  参考文献：
  名称：

  Chk-1 inhibitors

  摘要：

  本发明涉及一种新的Chk-1抑制剂及其治疗方法。

  公开号：

  US20050245563A1

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS
  申请人：MASSACHUSETTS GEN HOSPITAL

  公开号：WO2019199979A1

  公开（公告）日：2019-10-17

  The present application provides compounds of formula: Methods of using these compounds for killing bacterial growth and treating bacterial infections are also provided.

  本申请提供了以下化合物的公式：还提供了使用这些化合物杀灭细菌生长和治疗细菌感染的方法。
• Potassium Channel Modulators
  申请人：Perez-Medrano Arturo

  公开号：US20120122890A1

  公开（公告）日：2012-05-17

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein G 1 , R 2 , R 1a , R 1b , X, X 1 , X 2 , X 3 , R x , J, k, n, q, and t are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文披露了式（I）的KCNQ钾通道调节剂，其中G 1 ，R 2 ，R 1a ，R 1b ，X，X 1 ，X 2 ，X 3 ，R x ，J，k，n，q和t如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• [EN] NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE 3,3-DIMÉTHYLTÉTRAHYDROQUINOLÉINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011128251A1

  公开（公告）日：2011-10-20

  A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1 to R5 have the significance given in claim 1, can be used as a medicament.

  化合物的化学式（I）及其药用盐，其中R1至R5具有权利要求1中给定的含义，可用作药物。
• NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES
  申请人：Chen Li

  公开号：US20110257151A1

  公开（公告）日：2011-10-20

  A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R 1 to R 5 have the significance given in claim 1 , can be used as a medicament.

  式（I）的化合物以及其药学上可接受的盐，其中R1至R5具有权利要求1中给定的含义，可用作药物。
• [EN] NOVEL TETRAHYDROQUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS INÉDITS DE LA TÉTRAHYDROQUINOLINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012101068A1

  公开（公告）日：2012-08-02

  A compound of formula (I) or a pharmaceutically acceptable salt or ester thereof, wherein R1 to R8, A1 to A3 have the significance given in claim 1, can be used as AMPK modulators for treating obesity, hyperglycemia or type 2 diabetes.

  化合物的化学式（I）或其药用可接受的盐或酯，其中R1至R8，A1至A3具有权利要求1中给定的含义，可用作AMPK调节剂，用于治疗肥胖症、高血糖或2型糖尿病。

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