4-溴-3-甲氧基苯酚苄醚 | 171768-67-5

• 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-3-甲氧基苯酚苄醚
• 英文名称: 4-benzyloxy-1-bromo-2-methoxybenzene
• 英文别名: 4-(benzyloxy)-1-bromo-2-methoxybenzene；2-methoxy-4-benzyloxy bromobenzene；4-benzyloxy-2-methoxybromobenzene；1-bromo-2-methoxy-4-phenylmethoxybenzene
• CAS: 171768-67-5
• 化学式: C₁₄H₁₃BrO₂
• 分子量: 293.16
• InChiKey: XNIVMZIZMUITKK-UHFFFAOYSA-N

物化性质

• 沸点：
  377.8±27.0 °C(Predicted)
• 密度：
  1.367±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2909309090
• 储存条件：
  室温且干燥环境中

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Benzyloxy-2-bromoanisole
Synonyms: 4-Benzyloxy-1-bromo-2-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: 5-Benzyloxy-2-bromoanisole
CAS number: 171768-67-5

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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: C14H13BrO2
Molecular weight: 293.2

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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-3-甲氧基苯酚苄醚 在 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) 、 palladium on activated charcoal 三乙烯二胺 、 咪唑 、 N-甲基二环己基胺 、 四丁基氯化铵 、 氢气 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 丁腈 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 50.0~120.0 ℃ 、300.01 kPa 条件下， 反应 77.0h， 生成 4-[(2-amino-4-{[(3S)-1-{[tert-butyl(dimethyl)silyl]oxy}hexan-3-yl]amino}-6-methyl-pyrimidin-5-yl)methyl]-3-methoxyphenol
  参考文献：
  名称：

  [EN] AMINOALKOXYPHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE
  [FR] COMPOSÉS AMINOALCOXYPHÉNYLE ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES

  摘要：

  这项发明涉及式(I)的化合物：(I) 其中n、m、p、R1和R2如描述中所定义。本发明还涉及制备这些化合物的过程，用于制备这些化合物的新型中间体，含有它们的药物组合物以及它们在治疗疾病（例如癌症）中的用途。

  公开号：

  WO2012067269A1
• 作为产物：
  描述：

  4-溴-3-甲氧基苯酚 、 溴甲苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以95%的产率得到4-溴-3-甲氧基苯酚苄醚
  参考文献：
  名称：

  [EN] TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS ALCÉNIQUES TÉTRASUBSTITUÉS ET LEUR UTILISATION

  摘要：

  本文披露了化合物或其药用可接受盐，并使用这些化合物治疗乳腺癌的方法，通过向需要治疗的受试者施用这些化合物或其药用可接受盐的治疗有效量。乳腺癌可能是ER阳性乳腺癌，需要治疗的受试者可能表达突变的ER-α蛋白。

  公开号：

  WO2016196342A1

文献信息

• [EN] SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS<br/>[FR] COMPOSÉS DE CYCLOPROPYLE SUBSTITUÉS UTILES À TITRE D'AGONISTES DE GPR119
  申请人：MERCK SHARP & DOHME

  公开号：WO2013074388A1

  公开（公告）日：2013-05-23

  Substituted cyclopropyl compounds of the formula (I): and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR-119. Pharmaceutical compositions and methods of treatment are also included

  公开了公式（I）的环丙基化合物及其药学上可接受的盐，用于治疗或预防2型糖尿病和类似疾病。这些化合物可作为G蛋白偶联受体GPR-119的激动剂。还包括药物组合物和治疗方法。
• 4,1-benzoxazepin derivatives and their use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05726306A1

  公开（公告）日：1998-03-10

  N-containing, condensed heterocyclic compounds and salts thereof are disclosed which are useful for inhibiting squalene synthetase and fungal growth, and which are useful for treating or preventing hyperlipidemia. Also disclosed is a method for producing these compounds.

  本发明揭示了一种含氮、紧凑的杂环化合物及其盐，用于抑制角鲨烯合酶和真菌生长，并用于治疗或预防高脂血症。还公开了一种制备这些化合物的方法。
• [EN] PHENOL COMPOUNDS ALS TOLL -LIKE RECEPTOR 7 AGONISTS<br/>[FR] COMPOSÉS PHÉNOL EN TANT QU'AGONISTES DU RÉCEPTEUR 7 DE TYPE TOLL
  申请人：ASTRAZENECA AB

  公开号：WO2012066335A1

  公开（公告）日：2012-05-24

  The invention concerns compounds of Formula (I): wherein R1, R2, R3 and Q are as defined in the description. The present invention also relates to processes for the preparation of such compounds, novel intermediates useful in the preparation of such compounds, pharmaceutical compositions containing them and their use as toll-like receptor 7 agonists.

  这项发明涉及式(I)的化合物：其中R1、R2、R3和Q如描述中所定义。本发明还涉及制备这类化合物的方法，制备这类化合物有用的新中间体，含有它们的药物组合物以及它们作为Toll样受体7激动剂的用途。
• 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES
  申请人：——

  公开号：US20010007873A1

  公开（公告）日：2001-07-12

  This present invention relates to compounds of the formula 1 wherein G, R 1 and R 2 are defined as in the specification, to pharmaceutical compositions containing them and to their use in the treatment and prevention of central nervous system and other disorders.

  这项发明涉及公式1中定义的化合物，其中G、R1和R2如规范中所定义，以及含有它们的药物组合物，以及它们在治疗和预防中枢神经系统和其他疾病中的用途。
• 一种聚合性液晶化合物及其制备方法与应用
  申请人：北京八亿时空液晶科技股份有限公司

  公开号：CN107699252B

  公开（公告）日：2021-09-07

  本发明涉及液晶显示材料领域，具体涉及一种聚合性液晶化合物及其制备方法与应用。本发明所述液晶化合物的通式结构为：其中，R表示具有1‑10个碳原子的烷基或烷氧基；环A表示1‑4个氢原子被氟原子取代的1,4‑亚苯基；m为1或2。本发明还提供一种液晶组合物，其中包含重量百分比为0.05％～20％的上述化合物，加入了本发明化合物的液晶组合物，具有向列相的高上限温度、向列相的低下限温度、小的粘度、适当的光学各向异性、大的介电各向异性、适当的弹性常数以及适当的预倾角等物性，应用前景广阔。