2-氟-3-胺基苯甲醚 | 1195768-18-3

• 物质功能分类: 医药中间体 - 原料药中间体
• 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-氟-3-胺基苯甲醚
• 中文别名: 3-氨基-2-氟苯甲酸甲酯
• 英文名称: methyl 3-amino-2-fluorobenzoate
• 英文别名: methyl 2-fluoro-3-aminobenzoate；3-amino-2-fluorobenzoic acid methyl ester；2-fluoro-3-aminobenzoic acid methyl ester
• CAS: 1195768-18-3
• 化学式: C₈H₈FNO₂
• 分子量: 169.155
• InChiKey: UOYDNSRSUSNCKS-UHFFFAOYSA-N

物化性质

• 沸点：
  282.6±25.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302,H315,H320,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 3-amino-2-fluorobenzoate
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: Methyl 3-amino-2-fluorobenzoate
CAS number: 1195768-18-3

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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: 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

制备方法与用途

用途

2-氟-3-胺基苯甲醚主要用于医药中间体。

反应信息

• 作为反应物：
  描述：

  2-氟-3-胺基苯甲醚 在 甲醇 、 sodium tetrahydroborate 、 甲基磺酰氯 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 44.0h， 生成 4-[[2-氟-3-[N'-(6-甲基吡啶-3-基)脲基]苯基]甲基]哌嗪-1-羧酸甲酯
  参考文献：
  名称：

  [EN] ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL
  [FR] NOUVEAUX PROCÉDÉS DESTINÉS À LA PRÉPARATION DE L'OMÉCAMTIV MÉCARBIL

  摘要：

  本申请的方面涉及制备Omecamtiv mecarbil及其盐的过程。具体方面涉及新型尿素中间体，其制备过程及其在制备Omecamtiv mecarbil及其盐中的应用。改进的Omecamtiv mecarbil制备过程具有工业可行性。

  公开号：

  WO2021070124A1
• 作为产物：
  描述：

  2,6-二氯苯甲酸 在 硫酸 、 palladium 10% on activated carbon 、 氢气 、 硝酸 、 lithium fluoride 作用下， 以 甲醇 、 乙腈 为溶剂， 30.0~55.0 ℃ 、700.01 kPa 条件下， 反应 5.0h， 生成 2-氟-3-胺基苯甲醚
  参考文献：
  名称：

  抗癌药物中间体2-氟-3-氨基苯甲酸甲酯的合成方法

  摘要：

  本发明公开了一种2‑氟‑3‑氨基苯甲酸甲酯的合成方法，属于医药中间体合成技术领域。以2,6‑二氯苯甲酸为原料，经过硝化反应，高选择性得到2,6‑二氯‑3‑硝基苯甲酸，接着在酸性条件下与甲醇反应成酯，随后选择性氟化得到2‑氟‑3‑硝基‑6‑氯苯甲酸甲酯，最后催化氢化得到2‑氟‑3‑氨基苯甲酸甲酯。采用本发明工艺路线，起始原料易得，工艺过程中均为精细化工中常见单元操作，反应连续性增加，方便了工业化的操作，为下游药物的大规模应用提供基础。

  公开号：

  CN111320548B

文献信息

• Benzene Sulfonamide Thiazole and Oxazole Compounds
  申请人：Adams Jerry Leroy

  公开号：US20090298815A1

  公开（公告）日：2009-12-03

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑磺胺和噁唑磺胺化合物，含有这些化合物的组合物，以及用作药物制剂的制备方法和使用方法。
• [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] PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH<br/>[FR] INHIBITEURS DE PROTÉINE KINASE POUR FAVORISER LA RÉGÉNÉRATION DU FOIE, OU POUR RÉDUIRE OU PRÉVENIR LA MORT DES HÉPATOCYTES
  申请人：HEPAREGENIX GMBH

  公开号：WO2018134254A1

  公开（公告）日：2018-07-26

  The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.

  这项发明涉及MKK4（有丝分裂原活化蛋白激酶4）及其在促进肝再生或减少或预防肝细胞死亡中的应用。这些MKK4抑制剂选择性地抑制蛋白激酶MKK4而不是蛋白激酶JNK和MKK7。
• 用于激酶调节的化合物及其适应症
  申请人：普莱希科公司

  公开号：CN105228983A

  公开（公告）日：2016-01-06

  本发明提供了对蛋白激酶有活性的化合物以及调节蛋白激酶通路的方法，以及使用这些化合物治疗与蛋白激酶的异常活性相关的疾病或病症的方法。