4-溴-2-乙氧基-1-甲氧基苯 | 52849-52-2

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-溴-2-乙氧基-1-甲氧基苯
• 英文名称: 4-bromo-2-ethoxy-1-methoxybenzene
• CAS: 52849-52-2
• 化学式: C₉H₁₁BrO₂
• 分子量: 231.089
• InChiKey: WWHVUIQBSPEWNK-UHFFFAOYSA-N

物化性质

• 沸点：
  252.1±20.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2909309090
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-ethoxyanisole
Synonyms: 4-Bromo-2-ethoxy-1-methoxybenzene

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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-2-ethoxyanisole
CAS number: 52849-52-2

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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: C9H11BrO2
Molecular weight: 231.1

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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.

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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-2-乙氧基-1-甲氧基苯 在 (1S,4S)-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene 、 正丁基锂 、 chlorobis(ethylene)rhodium(I) dimer 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 22.0h， 生成 阿普斯特
  参考文献：
  名称：

  手性二烯配体的铑催化剂不对称合成β-芳基β-亚氨基砜：Apremilast的合成

  摘要：

  手性铑（I）-二烯催化剂可在温和的反应条件下一步合成β-芳基β-亚氨基砜。通过选择手性二烯配体L1a或L2，可以以高的立体选择性接近手性β-芳基β-亚氨基砜靶的每个对映体。证明反应的范围，包括合成一个N保护的手性β-氨基β-苯基砜，并以有效合成富含杂原子的活性药物成分apremilast达到顶点。

  DOI：

  10.1021/acs.orglett.9b01513
• 作为产物：
  描述：

  5-溴-2-甲氧基苯酚乙酸酯 在 碳酸氢钠 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.5h， 生成 4-溴-2-乙氧基-1-甲氧基苯
  参考文献：
  名称：

  手性二烯配体的铑催化剂不对称合成β-芳基β-亚氨基砜：Apremilast的合成

  摘要：

  手性铑（I）-二烯催化剂可在温和的反应条件下一步合成β-芳基β-亚氨基砜。通过选择手性二烯配体L1a或L2，可以以高的立体选择性接近手性β-芳基β-亚氨基砜靶的每个对映体。证明反应的范围，包括合成一个N保护的手性β-氨基β-苯基砜，并以有效合成富含杂原子的活性药物成分apremilast达到顶点。

  DOI：

  10.1021/acs.orglett.9b01513

文献信息

• Isoindole-imide compounds and compositions comprising and methods of using the same
  申请人：Muller W. George

  公开号：US20070049618A1

  公开（公告）日：2007-03-01

  This invention relates to isoindole-imide compounds, and pharmaceutically acceptable salts, solvates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  这项发明涉及异吲哚-亚胺化合物，以及它们的药物可接受的盐、溶剂化物、对映异构体和前药。这些化合物的使用方法和药物组合物已经公开。
• Diphenylethylene compounds and uses thereof
  申请人：Muller W. George

  公开号：US20050107339A1

  公开（公告）日：2005-05-19

  The present invention relates to Diphenylethylene Compounds and compositions comprising a Diphenylethylene Compound. The present invention also relates to methods for preventing or treating various diseases and disorders by administering to a subject in need thereof one or more Diphenylethylene Compounds. In particular, the invention relates to methods for preventing or treating cancer or an inflammatory disorder by administering to a subject in need thereof one or more Diphenylethylene Compounds. The present invention further relates to articles of manufacture and kits comprising one or more Diphenylethylene Compounds.

  本发明涉及二苯乙烯化合物和包含二苯乙烯化合物的组合物。本发明还涉及通过向需要的受试者施用一种或多种二苯乙烯化合物来预防或治疗各种疾病和紊乱的方法。具体而言，该发明涉及通过向需要的受试者施用一种或多种二苯乙烯化合物来预防或治疗癌症或炎症性紊乱的方法。本发明还涉及包含一种或多种二苯乙烯化合物的制品和工具包。
• Treatment of Affective Disorder and Obesity with Topiramate
  作者：Christian J Teter、John J Early、Carol M Gibbs

  DOI：10.1345/aph.10027

  日期：2000.11

  To report a case of weight loss and mood stabilization in a patient being treated with the antiepileptic drug topiramate.

  A 37-year-old obese white woman with affective instability and obesity was being treated with adjunctive topiramate therapy. The patient lost 10 kg over 10 weeks of treatment with topiramate and improved clinically, as evidenced by a reduction in the number of × that she had to be admitted to a management unit for constant observation, and a decrease in the number of × that mechanical restraints or medication interventions were required for aggressive outbursts. Furthermore, the patient successfully completed two home visits while receiving topiramate therapy and was out of the hospital on her third home visit at the time of this writing.

  This case further strengthens previous reports that topiramate may be useful in treating affective disorders as well as inducing weight loss in a patient population in which weight gain is common. The patient discussed in this case report had no acute illnesses or changes in health status, no changes in diet, and no changes in her medications that could have accounted for the sudden weight loss. In addition, the patient's behavior did not improve until topiramate was added as adjunctive therapy of valproic acid, citalopram, and chlorpromazine during an adequate trial period.

  Controlled studies need to be performed to evaluate the use of topiramate in the psychiatric population and, in particular, the benefits of topiramate therapy in psychiatric patients with an additional diagnosis of obesity.

  以下是您请求的翻译结果：

  报告一例使用抗癫痫药物托吡酯治疗的患者的体重减轻和情绪稳定案例。

  一位37岁的肥胖白人女性，情绪不稳定且肥胖，正在接受辅助托吡酯治疗。患者在接受托吡酯治疗的10周内体重减轻了10公斤，并且临床状况有所改善，这从她需要被送入管理单位进行持续观察的次数减少以及需要机械约束或药物干预的激烈爆发次数减少中得到证明。此外，在接受托吡酯治疗期间，患者成功完成了两次家庭访问，并且在撰写本文时，她正在进行第三次家庭访问，已经出院。

  这个案例进一步强化了之前的报告，即托吡酯可能有助于治疗情感障碍以及在体重增加常见的人群中诱导体重减轻。本案例报告中的患者没有急性疾病或健康状况的变化，饮食没有变化，也没有药物变化，这些都不可能导致突然的体重减轻。此外，患者的行为在足疗程的试验期间，将托吡酯作为辅助治疗加入丙戊酸、西酞普兰和氯丙嗪后才有改善。

  需要进行控制研究，以评估托吡酯在精神病患者中的使用，特别是对于额外诊断为肥胖的精神病患者，托吡酯治疗的益处。

• [EN] ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLOPROTÉASES MATRICIELLES À BASE D'ARYLSULFONAMIDES
  申请人：NOVARTIS AG

  公开号：WO2009118292A1

  公开（公告）日：2009-10-01

  The present invention provides a compound of formula (I):said compound is inhibitor of MMP-2, and/or MMP-8, and/or MMP-9, and/or MMP-12 and/or MMP-13, and thus can be employed for the treatment of a disorder or disease characterized by abnormal activity of MMP-2, and/or MMP-8, and/or MMP-9, and/or MMP-12 and/or MMP- 13. Accordingly, the compound of formula (I) can be used in treatment of disorders or diseases mediated by MMP-2, and/or MMP-8, and/or MMP-9, and/or MMP-12, and/or MMP- 13. Finally, the present invention also provides a pharmaceutical composition.

  本发明提供了一种化合物，其化学式为(I)：所述化合物是MMP-2、和/或MMP-8、和/或MMP-9、和/或MMP-12和/或MMP-13的抑制剂，因此可用于治疗由MMP-2、和/或MMP-8、和/或MMP-9、和/或MMP-12和/或MMP-13异常活性特征的疾病或疾病。因此，化合物(I)的化合物可用于治疗由MMP-2、和/或MMP-8、和/或MMP-9、和/或MMP-12、和/或MMP-13介导的疾病或疾病。最后，本发明还提供了一种药物组合物。
• [EN] HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES AYANT UNE ACTIVITÉ DE MODULATION DE ROR(GAMMA)T
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2018030550A1

  公开（公告）日：2018-02-15

  The present invention relates to a compound that may have an ROR(gamma)t modulating activity and can thus be useful in the treatment of cancer.

  本发明涉及一种可能具有ROR(gamma)t调节活性的化合物，因此可用于癌症治疗。