2-对溴苯氧基四氢吡喃 | 36603-49-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡喃类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-对溴苯氧基四氢吡喃
• 中文别名: 2-(4-溴苯氧基)四氢-2H-吡喃；2-(4-溴苯氧基)四氢吡喃
• 英文名称: 4-(tetrahydropyran-2'-yloxy)-1-bromobenzene
• 英文别名: 2-(4-bromophenoxy)tetrahydro-2H-pyran；2-(4-bromophenoxy)oxane
• CAS: 36603-49-3
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: MXDQGXMBJCGRCB-UHFFFAOYSA-N

物化性质

• 熔点：
  56-58 °C(lit.)
• 沸点：
  109 °C(Press: 0.26 Torr)
• 密度：
  1.403±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• WGK Germany：
  3
• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  密封、阴凉、干燥、通风保存

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Bromophenoxy)tetrahydropyran
Synonyms:

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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-(4-Bromophenoxy)tetrahydropyran
CAS number: 36603-49-3

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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: C11H13BrO2
Molecular weight: 257.1

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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：

  2-对溴苯氧基四氢吡喃 在 甲醇 作用下， 反应 4.0h， 以88%的产率得到4-溴苯酚
  参考文献：
  名称：

  将 N- 丙基氨基磺酸负载到Fe 3 O 4磁性纳米颗粒上，作为可重复使用的高效纳米催化剂，用于保护/脱羟基和保护醛

  摘要：

  已经报道了负载在Fe 3 O 4磁性纳米颗粒（MNPs-PSA）上的 N- 丙基氨基磺酸作为一种有效的和可磁重复使用的纳米催化剂，可以通过改变溶剂介质将其用于多种醇和酚的四氢吡喃基化/脱吡喃基化。此外，还描述了在无溶剂条件下，在室温下，在催化量的MNPs-PSA存在下，使用Ac 2 O以高至高收率保护醛作为酰基的醛。反应完成后，借助外部磁场可以很容易地将催化剂从反应混合物中分离出来，并连续使用几次，而不会明显降低其催化效率。

  DOI：

  10.1007/s11164-015-2239-3
• 作为产物：
  描述：

  4-溴苯酚 以91的产率得到2-对溴苯氧基四氢吡喃
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 2010, 20, 2665-2667

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-对溴苯氧基四氢吡喃 、 4-[4-(三氟甲氧基)苯氧基]哌啶 在 2-对溴苯氧基四氢吡喃 作用下， 以64的产率得到3-甲基-1-丁炔
  参考文献：
  名称：

  [EN] 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES
  [FR] 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-B]OXAZOLES

  摘要：

  2,3-二氢-6-硝基咪唑并[2,1-b]噁唑的一般式表示为（1）：（1）（H）[其中R1是氢或C1-6烷基; n是0至6的整数; R2是-OR3或类似物（其中R3是氢，C1-6烷基或类似物），或R1和-(CH2)nR2可以通过氮原子连接在一起，与相邻的碳原子形成一个螺环，其一般式表示为（H）（其中R41是氢，C1-6烷基或类似物）]。这些化合物对结核杆菌、多重耐药结核杆菌和非典型抗酸杆菌表现出优异的杀菌活性。

  公开号：

  WO2004033463A1

文献信息

• [EN] TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS ALCÉNIQUES TÉTRASUBSTITUÉS ET LEUR UTILISATION
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2016196342A1

  公开（公告）日：2016-12-08

  Disclosed herein are compounds, or pharmaceutically acceptable salts thereof, and methods of using the compounds for treating breast cancer by administration to a subject in need thereof a therapeutically effective amount of the compounds or pharmaceutically acceptable salts thereof. The breast cancer may be an ER-positive breast cancer and/or the subject in need of treatment may express a mutant ER-α protein.

  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。
• α,α-Diarylethylene Glycols as Valuable Precursor for Synthesis of 1,1-Diarylethenes and α,α-Diaryl Acetaldehydes
  作者：Praveen Kumar Tiwari、Balasubramaniam Sivaraman、Indrapal Singh Aidhen

  DOI：10.1002/ejoc.201700467

  日期：2017.7.7

  Towards assembling of diarylmethine unit present in biologically important molecules, we have developed a new Weinreb Amide (WA) based building block, derived from glycolic acid. The WA functionality present in this building block had allowed the sequential addition of various arylmagnesium bromide reagents in a controlled manner enabling assembling of diarylmethine unit. The developed synthetic route

  为了组装生物学上重要的分子中存在的二芳基次甲基单元，我们开发了一种新的基于 Weinreb 酰胺 (WA) 的结构单元，该结构单元源自乙醇酸。该构件中存在的 WA 官能团允许以受控方式顺序添加各种芳基溴化镁试剂，从而能够组装二芳基次甲基单元。开发的合成路线可以轻松获得重要的二芳基乙烯和 α,α-二芳基乙二醇。合成的α,α-二芳基乙二醇为合成重要的对称和不对称α,α-二芳基乙醛作为有价值的中间体铺平了道路。
• [EN] HCV POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA POLYMÉRASE DU VHC
  申请人：MEDIVIR AB

  公开号：WO2015056213A1

  公开（公告）日：2015-04-23

  The invention provides compounds of the formula (I) wherein B is a nucleobase selected from the groups (a) to (d): and the other variables are as defined in the claims, which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  这项发明提供了公式（I）中的化合物，其中B是从（a）到（d）组中选择的核碱基：其他变量如索权中所定义，这些化合物可用于治疗或预防丙型肝炎病毒感染及相关方面。
• [EN] N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE UTILES EN TANT QU'INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE
  申请人：BIOMARIN PHARM INC

  公开号：WO2015065937A1

  公开（公告）日：2015-05-07

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and compounds I for use to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

  本处描述的是公式I的化合物，制造此类化合物的方法，包含此类化合物的药物组合物和药品，以及用于治疗或预防与葡萄糖苷鞘氨醇合酶（GCS）相关疾病的I化合物。
• 聚合性化合物、聚合性组合物、液晶复合体、光 学各向异性体、液晶显示元件以及其用途
  申请人：捷恩智株式会社

  公开号：CN105358523B

  公开（公告）日：2018-09-07

  本发明提供一种具有高聚合反应性、高转化率以及在液晶组合物中的高溶解度的聚合性化合物，包含所述化合物的聚合性组合物、由所述组合物制备的液晶复合体、光学各向异性体、具有所述复合体的液晶显示元件以及其用途。上述聚合性化合物包括串联的不相互并合的3个或4个环，且具有3个以上的聚合性基，其中至少一个聚合性基与不为两端的环键结。上述聚合性组合物包含此聚合性化合物及液晶组合物。上述液晶复合体是由此聚合性组合物制备，并且提供上述液晶显示元件。

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