4-溴-3-甲硫基苯甲醚 | 90532-02-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-溴-3-甲硫基苯甲醚
• 中文别名: 4-溴-3-甲基硫代苯甲醚
• 英文名称: 1-bromo-2-methyl-4-methylsulfanylbenzene
• 英文别名: (4-bromo-3-methylphenyl)(methyl)sulfane；4-bromo-3-methylthioanisole
• CAS: 90532-02-8
• 化学式: C₈H₉BrS
• 分子量: 217.129
• InChiKey: HAHBIJBMSCJNII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2930909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-3-methylthioanisole
Synonyms: (4-Bromo-3-methylphenyl)(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: 4-Bromo-3-methylthioanisole
CAS number: 90532-02-8

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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: C8H9BrS
Molecular weight: 217.1

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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 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：

  4-溴-3-甲硫基苯甲醚 在 四(三苯基膦)钯 4-二甲氨基吡啶 、 sodium hydride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 5.75h， 生成 N-Benzooxazol-2-yl-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-2-methyl-phenyl)-propionamide
  参考文献：
  名称：

  Amido Compounds

  摘要：

  化合物的公式I：或其药用盐，其中变量的定义如本文所述。还公开了制备这些化合物的方法，并将这些化合物用于治疗与P2X7嘌呤受体相关的疾病。

  公开号：

  US20120149718A1
• 作为产物：
  描述：

  1-甲基-3-(甲硫基)苯 在 N-溴代丁二酰亚胺(NBS) 、 methyl 2-pentyl-indole-3-carboxylate 作用下， 以 正庚烷 为溶剂， 反应 48.0h， 以97%的产率得到4-溴-3-甲硫基苯甲醚
  参考文献：
  名称：

  对环境有利的吲哚催化的硫代芳烃和其他芳族化合物的位置选择性卤化

  摘要：

  卤代芳族化合物是许多医药，农业和化学产品的核心，但它们通常是在苛刻条件下在非绿色氯化溶剂中使用亲电子卤化反应制备的。另一个问题是硫代芳烃的芳族卤化，因为它们容易发生氧化副反应。在本文中，我们报告了使用吲哚催化方案的芳香族化合物的对环境无害的亲电子溴化反应，该方法适用于包括硫代芳烃在内的各种底物。

  DOI：

  10.1039/c8gc02415d

文献信息

• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP<br/>[FR] MODULATEURS SELECTIFS DES RECEPTEURS OESTROGENIQUES CONTENANT UN GROUPE PHENYLSULFONYLE
  申请人：LILLY CO ELI

  公开号：WO2004009086A1

  公开（公告）日：2004-01-29

  The present invention relates to a selective estrogen receptor modulator of formula I or a pharmaceutical acid addition salt thereof; useful, e.g., for treating endometriosis and/or uterine leiomyoma/leiomyomata.

  本发明涉及式I的选择性雌激素受体调节剂或其药用酸盐加合物；例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤。
• [EN] NAPHTHYLACETIC ACIDS<br/>[FR] ACIDES NAPHTYLACÉTIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010055005A1

  公开（公告）日：2010-05-20

  The invention is concerned with the compounds of formula (I) and pharmaceutically acceptable salts and esters thereof, wherein X, Q, and R1-R6 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists or partial agonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  本发明涉及式(I)的化合物以及药用可接受的盐和酯，其中X、Q和R1-R6在详细描述和权利要求中定义。此外，本发明还涉及制造和使用式(I)化合物的方法，以及包含此类化合物的药物组合物。式(I)的化合物是CRTH2受体的拮抗剂或部分激动剂，可用于治疗与该受体相关的疾病和失调，如哮喘。
• TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF
  申请人：CHAN Ho Man

  公开号：US20160176882A1

  公开（公告）日：2016-06-23

  A compound of Formula (I), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating a PRC2-mediated disease or disorder: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and n are as defined herein.

  提供了一种由化合物（I）或其药学上可接受的盐组成的药物，已被证明对治疗PRC2介导的疾病或紊乱有用：其中R1、R2、R3、R4、R5和n的定义如本文所述。
• [EN] IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS D'IMIDAZOPYRIMIDINE UTILES POUR LE TRAITEMENT DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2017221100A1

  公开（公告）日：2017-12-28

  A compound of Formula (IA), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating a PRC2-mediated disease or disorder: wherein A, R3, R4, R6, and R7 are as defined herein.

  提供了一种具有以下结构式（IA）的化合物，或其药用盐，已被证明对治疗PRC2介导的疾病或紊乱有用：其中A，R3，R4，R6和R7如本文所定义。
• BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS
  申请人：Fang Jing

  公开号：US20100029650A1

  公开（公告）日：2010-02-04

  The present invention relates to novel compounds that are useful in the treatment of metabolic disorders, particularly type II diabetes mellitus and related disorders, and also to the methods for the making and use of such compounds.

  本发明涉及一种新型化合物，该化合物在治疗代谢性疾病，特别是Ⅱ型糖尿病及相关疾病方面具有用途，并且还涉及制备和使用这种化合物的方法。