3-氟-2-甲氧基苯甲酸甲酯 | 106428-04-0

• 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: 3-氟-2-甲氧基苯甲酸甲酯
• 英文名称: methyl 3-fluoro-2-(methyloxy)benzoate
• 英文别名: methyl 3-fluoro-2-methoxybenzoate
• CAS: 106428-04-0
• 化学式: C₉H₉FO₃
• mdl: MFCD09753133
• 分子量: 184.167
• InChiKey: PXGWESGJXYODOO-UHFFFAOYSA-N

物化性质

• 沸点：
  257.4±25.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Methyl 3-fluoro-2-methoxybenzoate
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: Methyl 3-fluoro-2-methoxybenzoate
CAS number: 106428-04-0

---

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: C9H9FO3
Molecular weight: 184.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

---

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：

  3-氟-2-甲氧基苯甲酸甲酯 在 氨 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 3-fluoro-2-methoxy-benzamide
  参考文献：
  名称：

  WO2007/62370

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氟-2-羟基苯甲酸 、 碘甲烷 在 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 生成 3-氟-2-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  2,4-diphenyl-1,3-dioxanes

  摘要：

  本发明提供了一种新型的4(Z)-([2,4,5-cis]-2,4-二苯基-1,3-二氧杂环戊-5-基)己烯酸群，其化学式为I，其中X为F、Cl、Br、CF.sub.3、CN、CH.sub.3 O或NO.sub.2，Y和Z中的一个为氢或氟，另一个为氢，以及它们的药学上可接受的盐；与其用于治疗各种疾病的制药组合物。还提供了制造新化合物的方法。代表性化合物是X为2-氰基或2-氯基，Y和Z都是氢的化合物。

  公开号：

  US04775685A1

文献信息

• [EN] REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS<br/>[FR] COMPOSES A BASE DE PYRIMIDINONE INVERSEE SERVANT DE CALCILYTIQUES
  申请人：NPS PHARMA INC

  公开号：WO2006041968A1

  公开（公告）日：2006-04-20

  Calcilytic compounds and methods of preparing them are disclosed. Methods of using the calcilytic compounds are also provided.

  本发明公开了钙离子受体拮抗化合物及其制备方法，同时还提供了使用该钙离子受体拮抗化合物的方法。
• 2,4-diphenyl-1,3-dioxanes
  申请人：Imperial Chemical Industries PLC

  公开号：US04775685A1

  公开（公告）日：1988-10-04

  The invention provides a novel group of 4(Z)-([2,4,5-cis]-2,4-diphenyl-1,3-dioxan-5-yl)hexenoic acids of formula I, wherein X is F, Cl, Br, CF.sub.3, CN, CH.sub.3 O or NO.sub.2 and one of Y and Z is hydrogen or fluoro and the other is hydrogen, and their pharmaceutically acceptable salts; together with their pharmaceutical compositions for use in treating a variety of disease conditions. Also provided are methods for the manufacture of novel compounds. Representative compounds are those in which X is 2-cyano or 2-chloro and Y and Z are both hydrogen.

  本发明提供了一种新型的4(Z)-([2,4,5-cis]-2,4-二苯基-1,3-二氧杂环戊-5-基)己烯酸群，其化学式为I，其中X为F、Cl、Br、CF.sub.3、CN、CH.sub.3 O或NO.sub.2，Y和Z中的一个为氢或氟，另一个为氢，以及它们的药学上可接受的盐；与其用于治疗各种疾病的制药组合物。还提供了制造新化合物的方法。代表性化合物是X为2-氰基或2-氯基，Y和Z都是氢的化合物。
• Pharmaceutical compositions
  申请人：Imperial Chemical Industries plc

  公开号：US04908380A1

  公开（公告）日：1990-03-13

  The invention concerns novel pharmaceutical compositions containing a 4(Z)-6-(2,4-diphenyl-1,3-dioxan-5-yl)-alkenoic acid which antagonizes one or more of the actions of thromboxane A.sub.2, together with a compound which inhibits the synthesis of thromboxane A.sub.2. The compositios are useful as medicines in treating a variety of diseases or medical conditions in which thromboxane A.sub.2 and/or other prostanoid contractile substances are involved.

  这项发明涉及含有一种与血栓素A.sub.2的作用之一或多个相对立的4(Z)-6-(2,4-二苯基-1,3-二氧杂环戊烯-5-基)-烯酸的新型药物组合物，以及一种抑制血栓素A.sub.2合成的化合物。这些组合物在治疗多种涉及血栓素A.sub.2和/或其他前列腺素收缩物质的疾病或医疗状况中作为药物是有用的。
• Reversed Pyrimidinone Compounds as Calcilytics
  申请人：Marquis Jr W. Robert

  公开号：US20070270446A1

  公开（公告）日：2007-11-22

  Calcilytic compounds and methods of preparing them are disclosed. Methods of using the calcilytic compounds are also provided.

  本发明公开了Calcilytic化合物及其制备方法。还提供了使用Calcilytic化合物的方法。
• Calcilytic Compounds
  申请人：Ku Thomas Wen Fu

  公开号：US20090137557A1

  公开（公告）日：2009-05-28

  Novel calcilytic compounds, pharmaceutical compositions, methods of synthesis and methods of using them are provided.

  本发明提供了新型的钙离子受体拮抗剂化合物、制药组合物、合成方法和使用方法。