2-溴-5-碘苯甲醚 | 755027-18-0

• 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 - 苯类化合物 - 苯酚醚
• 中文名称: 2-溴-5-碘苯甲醚
• 中文别名: 苯,1-溴-4-碘-2-甲氧基
• 英文名称: 1-bromo-4-iodo-2-methoxybenzene
• 英文别名: 2-bromo-5-iodoanisole
• CAS: 755027-18-0
• 化学式: C₇H₆BrIO
• 分子量: 312.933
• InChiKey: PIPWNWZBTWYPJB-UHFFFAOYSA-N

物化性质

• 沸点：
  293.7±20.0 °C(Predicted)
• 密度：
  2.062

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：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-4-iodo-2-methoxybenzene
Synonyms: 2-Bromo-5-iodoanisole

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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: 1-Bromo-4-iodo-2-methoxybenzene
CAS number: 755027-18-0

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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, refrigerated.
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: C7H6BrIO
Molecular weight: 312.9

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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, hydrogen Iodide.

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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-5-碘苯甲醚 在 二苯基膦叠氮化物 、 palladium diacetate 、 三乙胺 作用下， 以 二苯基甲烷 、 乙腈 、 苯 为溶剂， 反应 0.67h， 生成 7-溴-6-甲氧基-1(2H)-异喹啉
  参考文献：
  名称：

  THERAPEUTIC COMPOUNDS

  摘要：

  公开号：

  EP2268285B1
• 作为产物：
  描述：

  4-溴-3-甲氧基苯胺 在 盐酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 2.0h， 以100%的产率得到2-溴-5-碘苯甲醚
  参考文献：
  名称：

  用于合成多烯黄单胞菌素及其类似物的苯乙烯基结构单元的方法

  摘要：

  使用来自关键炔基中间体的不同硼氢化/溴硼化方法，获得了许多用于合成两种黄单胞菌素天然产物颜料以及相关类似物的芳基结构单元。在从溴化反应中分离出意想不到的区域异构体后，采用了一种新的方法来处理环周围的取代模式。探索了在这些构件上的潜在偶联反应，在关键的炔基中间体上成功进行了 Sonogashira 偶联，并通过初步 Suzuki-Miyaura 偶联和碘代硼化/Heck-Mizoroki 偶联功能化了关键的脱溴苯乙烯基硼酸酯中间体。

  DOI：

  10.1002/ejoc.201800540

文献信息

• Active Molybdenum-Based Anode for Dehydrogenative Coupling Reactions
  作者：Sebastian B. Beil、Timo Müller、Sydney B. Sillart、Peter Franzmann、Alexander Bomm、Michael Holtkamp、Uwe Karst、Wolfgang Schade、Siegfried R. Waldvogel

  DOI：10.1002/anie.201712718

  日期：2018.2.23

  and powerful active anode system that can be operated in 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) has been discovered. In HFIP the molybdenum anode forms a compact, conductive, and electroactive layer of higher‐valent molybdenum species. This system can replace powerful but stoichiometrically required MoV reagents for the dehydrogenative coupling of aryls. This electrolytic reaction is more sustainable

  发现了一种可以在1,1,1,3,3,3-六氟-2-丙醇（HFIP）中运行的功能强大的新型阳极活性系统。在HFIP中，钼阳极形成一个高价钼物种的致密，导电和电活性层。该系统可替代功能强大但化学计量上要求的Mo V试剂，用于芳基的脱氢偶联。这种电解反应是更可持续的，并允许转化广泛范围的活化芳烃。
• [EN] 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS<br/>[FR] ANALOGUES DE PYRIDAZINE 1,4-DISUBSTITUÉE ET PROCÉDÉS DE TRAITEMENT DE TROUBLES LIÉS À UNE DÉFICIENCE EN SMN
  申请人：NOVARTIS AG

  公开号：WO2014028459A1

  公开（公告）日：2014-02-20

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式(I)的化合物或其药用可接受的盐；一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和一种药物组合物。
• THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS
  申请人：AXFORD Jake

  公开号：US20140206661A1

  公开（公告）日：2014-07-24

  The present invention provides a compound of Formula (X) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式（X）的化合物或其药用盐；一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和一种药物组合物。
• C(sp³)–H Monoarylation of Methanol Enabled by a Bidentate Auxiliary
  作者：Quan Gou、Binfang Yuan、Man Ran、Jian Ren、Ming-zhong Zhang、Xiaoping Tan、Tengrui Yuan、Xing Zhang

  DOI：10.1021/acs.orglett.0c03786

  日期：2021.1.1

  With the assistance of a practical directing group (COAQ), the first catalytic protocol for the palladium-catalyzed C(sp3)–H monoarylation of methanol has been developed, offering an invaluable synthesis means to establish extensive derivatives of crucial arylmethanol functional fragments. Furthermore, the gram-scale reaction, broad substrate scope, excellent functional group compatibility, and even

  在一个实用的指导小组（COAQ）的帮助下，开发了甲醇催化钯催化的C（sp 3）-H单芳基化的第一个催化方案，为建立关键的芳基甲醇功能片段的广泛衍生物提供了宝贵的合成手段。此外，克级反应，广泛的底物范围，出色的官能团相容性，甚至药物的实际合成，都进一步证明了该策略的有效性。
• Thieme Chemistry Journals Awardees – Where Are They Now? Molybdenum(V)-Mediated Synthesis of Nonsymmetric Diaryl and Aryl Alkyl Chalcogenides
  作者：Siegfried Waldvogel、Peter Franzmann、Sebastian Beil、Peter Winterscheid、Dieter Schollmeyer

  DOI：10.1055/s-0036-1588140

  日期：——

  Oxidative chalcogenation reaction using molybdenum(V) reagents provides fast access to a wide range of nonsymmetric aryl sulfides and selenides. The established protocol is tolerated by a variety of labile functions, protecting groups, and aromatic heterocycles. In particular, when labile moieties are present, the use of molybdenum(V) reagents provides superior yields compared to other oxidants.

  使用钼 (V) 试剂的氧化硫属化反应可以快速获得各种非对称芳基硫化物和硒化物。已建立的协议可被各种不稳定的功能、保护基团和芳香杂环所容忍。特别是，当存在不稳定部分时，与其他氧化剂相比，使用钼 (V) 试剂可提供更高的产率。