2-甲氧基-3-氟苯硼酸 | 762287-59-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯硼酸系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-甲氧基-3-氟苯硼酸
• 中文别名: 3-氟-2-甲氧基苯基硼酸；3-氟-2-甲氧基苯硼酸
• 英文名称: (3-fluoro-2-methoxyphenyl)boronic acid
• 英文别名: 3-Fluoro-2-methoxyphenylboronic acid
• CAS: 762287-59-2
• 化学式: C₇H₈BFO₃
• mdl: MFCD03095355
• 分子量: 169.948
• InChiKey: ABTBKKHOMBEJGL-UHFFFAOYSA-N

物化性质

• 沸点：
  330.7±52.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Fluoro-2-methoxyphenylboronic acid
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Fluoro-2-methoxyphenylboronic acid
CAS number: 762287-59-2

---

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, refrigerated.
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: C7H8BFO3
Molecular weight: 169.9

---

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：

  2-甲氧基-3-氟苯硼酸 在 N-碘代丁二酰亚胺 、 四(三苯基膦)钯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 四丁基氟化铵 、 四丁基溴化铵 、 sodium carbonate 、 potassium carbonate 、 乙二胺 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 6-chloro-2-(2-fluoro-6-methoxyphenyl)-3-methyl-1H-pyrrolo[3,2-c]pyridine
  参考文献：
  名称：

  [EN] 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES
  [FR] COMPOSÉS DE 5- ET 6-AZAINDOLE POUR L'INHIBITION DE TYROSINE KINASES BCR-ABL

  摘要：

  本公开涉及抑制Bcr-Abl酪氨酸激酶的化合物和组合物，制备该化合物和组合物的方法，以及它们在治疗各种癌症，如慢性髓细胞白血病（CML）中的应用。

  公开号：

  WO2022076975A1
• 作为产物：
  描述：

  在 盐酸 作用下， 生成 2-甲氧基-3-氟苯硼酸
  参考文献：
  名称：

  Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists

  摘要：

  A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00460-2

文献信息

• [EN] QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLÉINE UTILISÉS EN TANT QU'INHIBITEURS DE L'INTÉGRINE ALPHA4BÊTA7
  申请人：GILEAD SCIENCES INC

  公开号：WO2020092375A1

  公开（公告）日：2020-05-07

  The present disclosure provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula (I), processes for preparing compounds of Formula (I), and therapeutic methods for treating inflammatory disease.

  本公开提供了如下所述的化合物的化学式(I)或其药用可接受的盐。本公开还提供了包含化合物的药物组合物的制备方法，制备化合物的方法以及治疗炎症性疾病的治疗方法。
• Macrocyclic MCL-1 inhibitors and methods of use
  申请人：AbbVie Inc.

  公开号：US20190055264A1

  公开（公告）日：2019-02-21

  The present disclosure provides for compounds of Formula (I) wherein A 2 , A 3 , A 4 , A 6 , A 7 , A 8 , A 15 , R A , R 5 , R 9 , R 10A , R 10B , R 11 , R 12 , R 13 , R 14 , R 16 , W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents for the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of Formula (I).

  本公开提供了Formula (I)的化合物，其中A2、A3、A4、A6、A7、A8、A15、RA、R5、R9、R10A、R10B、R11、R12、R13、R14、R16、W、X和Y具有规范中定义的任何值，以及其药学上可接受的盐，可用作治疗疾病和病况的药物，包括癌症。还提供了包含Formula (I)化合物的药物组合物。
• 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors
  申请人：Arrien Pharmaceuticals LLC

  公开号：US20140315909A1

  公开（公告）日：2014-10-23

  The present invention relates to compounds described by Formula I: salts thereof, their synthesis, and their use as ITK and JAK3 inhibitors including such compounds and methods of using said compounds in the treatment of various diseases and or disorders such disease associated with abnormal cell growth such as autoimmune, inflammation, rheumatoid arthritis, systemic lupus erythematosus, atherosclerosis, ulcerative colitis, psoriatic arthritis, psoriasis, Crohn's, metabolic and cancer diseases. The present invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions and processes for preparing the compounds of the invention.

  本发明涉及由式I描述的化合物： 其盐，它们的合成，以及它们作为ITK和JAK3抑制剂的用途，包括这些化合物以及使用这些化合物治疗各种疾病和/或疾病的方法，这些疾病与异常细胞生长有关，如自身免疫、炎症、类风湿关节炎、系统性红斑狼疮、动脉粥样硬化、溃疡性结肠炎、银屑病性关节炎、银屑病、克罗恩病、代谢和癌症疾病。本发明还提供包括本发明化合物的药学上可接受的组合物以及使用这些组合物的方法和制备本发明化合物的方法。
• [EN] THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES DE PYRIDAZINE ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2016138114A1

  公开（公告）日：2016-09-01

  The present invention relates to compounds of formula (I): (I) and salts thereof, wherein: R1-R4 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of BRG1, BRM and/or PB1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various BRG1-mediated disorders, BRM-mediated disorders and/or PB1-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中：R1-R4具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作BRG1、BRM和/或PB1的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种BRG1介导的疾病、BRM介导的疾病和/或PB1介导的疾病中使用这些化合物和盐的方法。
• Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents
  申请人：Berger Markus

  公开号：US20070225290A1

  公开（公告）日：2007-09-27

  The invention relates to multiply substituted tetrahydronaphthalene derivatives of the formula (Ia) to processes for preparing them and to their use as antiinflammatory agents.

  该发明涉及公式(Ia)的多取代四氢萘衍生物，以及制备它们的过程和它们作为抗炎药物的用途。