2-溴-4-氟硫苯甲醚 | 91524-70-8

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-溴-4-氟硫苯甲醚
• 中文别名: 2-溴-4-氟硫代苯甲醚
• 英文名称: 2-bromo-4-fluoro-1-(methylsulfanyl)benzene
• 英文别名: 2-Bromo-4-fluorothioanisole；2-bromo-4-fluoro-1-methylsulfanylbenzene
• CAS: 91524-70-8
• 化学式: C₇H₆BrFS
• 分子量: 221.093
• InChiKey: XQGBAFLNAQHQNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-4-fluorothioanisole
Synonyms: (2-Bromo-4-fluorophenyl)(methyl)sulfane

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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: 2-Bromo-4-fluorothioanisole
CAS number: 91524-70-8

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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: C7H6BrFS
Molecular weight: 221.1

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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, hydrogen fluoride, hydrogen bromide, sulfur oxides.

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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-溴-4-氟硫苯甲醚 在 盐酸 、 乙二醇二甲醚溴化镍 、 magnesium 、 4,4'-二叔丁基-2,2'-二吡啶 、 锌 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 N,N-二甲基乙酰胺 为溶剂， 反应 37.0h， 生成 (2R,4S)-4-fluoro-2-[5-fluoro-2-(methylsulfanyl)phenyl]pyrrolidine
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOSITIONS AND THEIR USES
  [FR] COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS

  摘要：

  本发明涉及药物组合物，如局部组合物，包括某些咪唑并[1,2-b]吡啶嗪化合物以及这些化合物的药学上可接受的盐和/或溶剂。该发明还涉及制备药物组合物的过程，以及利用这些组合物治疗与肌球蛋白相关激酶（Trk）活性相关的疾病或症状。更具体地，本发明涉及包含式（I）化合物或其药学上可接受的盐和/或溶剂的局部药物组合物，这些化合物在抑制Trk方面是有用的。

  公开号：

  WO2021148807A1
• 作为产物：
  描述：

  2-溴-4-氟苯胺 、 cuprous methylmercaptide 在 硫酸 、 sodium nitrite 作用下， 生成 2-溴-4-氟硫苯甲醚
  参考文献：
  名称：

  Baleja, James D., Synthetic Communications, 1984, vol. 14, # 3, p. 215 - 218

  摘要：

  DOI：

文献信息

• [EN] IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZO[1,2-B]PYRIDAZINE UTILISÉS EN TANT QU'INHIBITEURS DE TRK
  申请人：BENEVOLENTAI BIO LTD

  公开号：WO2020016594A1

  公开（公告）日：2020-01-23

  The present invention relates to certain imidazo[1,2-b]pyridazine compounds and the pharmaceutically acceptable salts of such compounds. The invention also relates to the processes for the preparation of the compounds, compositions containing the compounds, and the uses of such compounds and salts in treating diseases or conditions associated with tropomyosin-related kinase (Trk), activity. More specifically the invention relates to the compounds and their salts useful as inhibitors of Trk. (I) wherein R1, R2, R3, R4 and R5 are as defined herein.

  本发明涉及某些咪唑并[1,2-b]吡啶嗪化合物及该类化合物的药用盐。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及这些化合物和盐在治疗与肌球蛋白相关激酶（Trk）活性相关的疾病或症状中的用途。更具体地，本发明涉及作为Trk抑制剂有用的化合物及其盐。（I）其中R1、R2、R3、R4和R5如本文所定义。
• [EN] PHARMACEUTICAL COMPOSITIONS AND THEIR USES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BENEVOLENTAI BIO LTD

  公开号：WO2021148807A1

  公开（公告）日：2021-07-29

  The present invention relates to pharmaceutical compositions, such as topical compositions, comprising certain imidazo [1,2-b] pyridazine compounds and the pharmaceutically acceptable salts and/or solvates of such compounds. The invention also relates to the processes for the preparation of the pharmaceutical compositions, and the uses of such compositions in treating diseases or conditions associated with tropomyosin-related kinase (Trk) activity. More specifically the invention relates to topical pharmaceutical compositions comprising compounds of Formula (I) or a pharmaceutically acceptable salts and/or solvates thereof, which are useful in inhibiting Trk.

  本发明涉及药物组合物，如局部组合物，包括某些咪唑并[1,2-b]吡啶嗪化合物以及这些化合物的药学上可接受的盐和/或溶剂。该发明还涉及制备药物组合物的过程，以及利用这些组合物治疗与肌球蛋白相关激酶（Trk）活性相关的疾病或症状。更具体地，本发明涉及包含式（I）化合物或其药学上可接受的盐和/或溶剂的局部药物组合物，这些化合物在抑制Trk方面是有用的。
• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Cushing Timothy D.

  公开号：US20100331293A1

  公开（公告）日：2010-12-30

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjogren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110δ activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有替代双环杂环芳基的化合物及其组合物，用于治疗一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定膀胱疾病、牛皮癣、具有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫疾病如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、干燥综合征和自身免疫性溶血性贫血，包括各种过敏症状，本发明还提供了治疗与p110δ活性有关的、依赖于或与之相关的癌症的方法，包括但不限于白血病，如急性髓系白血病（AML）、髓增生异常综合征（MDS）、髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• [EN] SULFONE DERIVATIVES<br/>[FR] DÉRIVÉS DE SULFONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021259831A1

  公开（公告）日：2021-12-30

  The present invention provides compounds of formula (I) wherein X1, X2, X3, X4, R1, R1a, R1b, R2', R2", R3', R3", R6 and R7 are as described herein, as well as pharmaceutically acceptable salts thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments.

  本发明提供了化合物的结构式(I)，其中X1、X2、X3、X4、R1、R1a、R1b、R2'、R2"、R3'、R3"、R6和R7如本文所述，以及其药学上可接受的盐。此外，本发明涉及制备结构式(I)化合物、包含它们的药物组合物以及它们作为药物的用途。
• [EN] IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS<br/>[FR] IMIDAZO[1,2-B]PYRIDAZINES UTILISÉES EN TANT QU'INHIBITEURS DE TRK
  申请人：BENEVOLENTAI BIO LTD

  公开号：WO2020039209A1

  公开（公告）日：2020-02-27

  The present invention relates to certain imidazo[1,2-b]pyridazine compounds and the pharmaceutically acceptable salts of such compounds. The invention also relates to the processes for the preparation of the compounds, compositions containing the compounds, and the uses of such compounds and salts in treating diseases or conditions associated with tropomyosin-related kinase (Trk), activity. More specifically the invention relates to the compounds and their salts useful as inhibitors of Trk. Formula (I) wherein R1, R2, R3, R4 and R5, L and Z are as defined herein.

  本发明涉及某些咪唑并[1,2-b]吡啶嗪化合物以及这些化合物的药用盐。本发明还涉及制备这些化合物的过程、含有这些化合物的组合物、以及这些化合物和盐在治疗与肌浆蛋白相关激酶（Trk）活性相关的疾病或症状中的用途。更具体地，本发明涉及作为Trk抑制剂有用的化合物及其盐。公式（I）中R1、R2、R3、R4和R5、L和Z的定义如本文所述。