3-溴四氢呋喃 | 19311-37-6

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 中文名称: 3-溴四氢呋喃
• 英文名称: 3-bromotetrahydrofuran
• 英文别名: 3-bromooxolane
• CAS: 19311-37-6
• 化学式: C₄H₇BrO
• mdl: MFCD09056777
• 分子量: 151.003
• InChiKey: NPZIPXHYLXTEAB-UHFFFAOYSA-N

物化性质

• 沸点：
  150-151 °C
• 密度：
  1.61 g/cm3(Temp: 0 °C)
• 溶解度：
  氯仿（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  3
• 海关编码：
  2932190090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险品运输编号：
  1993
• 危险性描述：
  H225,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromotetrahydrofuran
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: 3-Bromotetrahydrofuran
CAS number: 19311-37-6

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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, under −20◦C.
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: C4H7BrO
Molecular weight: 151.0

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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：

  3-溴四氢呋喃 在 乙醚 、 sodium 作用下， 生成 3-丁烯-1-醇
  参考文献：
  名称：

  Jur'ew et al., Zhurnal Obshchei Khimii, 1948, vol. 18, p. 1804,1806

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-dibromobutan-1-ol 在 氢氧化钾 、 乙醚 作用下， 生成 3-溴四氢呋喃
  参考文献：
  名称：

  Pariselle, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1909, vol. 148, p. 849

  摘要：

  DOI：

文献信息

• A general N-alkylation platform via copper metallaphotoredox and silyl radical activation of alkyl halides
  作者：Nathan W. Dow、Albert Cabré、David W.C. MacMillan

  DOI：10.1016/j.chempr.2021.05.005

  日期：2021.7

  The catalytic union of amides, sulfonamides, anilines, imines, or N-heterocycles with a broad spectrum of electronically and sterically diverse alkyl bromides has been achieved via a visible-light-induced metallaphotoredox platform. The use of a halogen abstraction-radical capture (HARC) mechanism allows for room temperature coupling of C(sp3)-bromides using simple Cu(II) salts, effectively bypassing

  通过可见光诱导的金属光氧化还原平台实现了酰胺、磺胺、苯胺、亚胺或N-杂环与广谱电子和空间多样化烷基溴的催化结合。卤素提取-自由基捕获 (HARC) 机制的使用允许使用简单的 Cu(II) 盐在室温下耦合 C( sp 3 )-溴化物，有效绕过通常与热诱导 S N 2 或 S相关的过高障碍N 1 N-烷基化。这种区域和化学选择性方案与 >10 类药物相关的N兼容- 亲核试剂，包括已建立的药剂，以及结构多样的伯、仲和叔烷基溴。此外，通过将N-亲核试剂与环丙基溴和未活化的烷基氯（与亲核取代途径不相容的底物）结合，突出了 HARC 方法与传统惰性偶联伙伴结合的能力。初步的机械实验验证了该平台的双重催化、开壳性质，这使得在传统的基于卤化物的N-烷基化系统中无法实现的反应性成为可能。
• Substituted benzimidazoles as modulators of Ras signaling
  申请人：VANDERBILT UNIVERSITY

  公开号：US10501421B1

  公开（公告）日：2019-12-10

  Benzimidazole compounds that increase the rate of SOS-mediated nucleotide exchange on Ras by binding to a functionally relevant, chemically tractable pocket on the SOS protein, as part of the Ras:SOS:Ras complex.

  苯并咪唑化合物通过与SOS蛋白上的一个功能相关且化学可操作的口袋结合，作为Ras:SOS:Ras复合体的一部分，增加了SOS介导的Ras核苷酸交换的速率。
• [EN] SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF<br/>[FR] 3-PHÉNYLQUINAZOLIN-4(3H)-ONES SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：BAYER AG

  公开号：WO2019063708A1

  公开（公告）日：2019-04-04

  The present invention covers substituted 3-Phenylquinazolin-4(3H)-one compounds of general formula (I) as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of various inflammatory and fibrotic diseases of the respiratory tract and of the lungs as well as lung cancer, as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式(I)所述和定义的取代3-苯基喹唑啉-4(3H)-酮化合物，制备该化合物的方法，用于制备该化合物的中间体化合物，包含该化合物的药物组合物和药物组合物的使用，用于制造用于治疗或预防疾病的药物组合物，特别是用于治疗和/或预防呼吸道和肺部的各种炎症性和纤维化性疾病以及肺癌，作为唯一活性成分或与其他活性成分组合使用。
• Unactivated Alkyl Chloride Reactivity in Excited-State Palladium Catalysis
  作者：Krishnamoorthy Muralirajan、Rajesh Kancherla、Aidana Gimnkhan、Magnus Rueping

  DOI：10.1021/acs.orglett.1c02467

  日期：2021.9.3

  catalysis is an efficient process for the alkylation of diverse organic compounds via the generation of alkyl radicals from alkyl bromides and iodides. However, the generation of alkyl radicals from more stable alkyl chlorides remains challenging. Herein, we demonstrate the excited-state palladium-catalyzed synthesis of oxindoles and isoquinolinediones via alkylation/annulation reaction by overcoming

  激发态钯催化是通过从烷基溴化物和碘化物生成烷基自由基来使各种有机化合物烷基化的有效方法。然而，从更稳定的烷基氯生成烷基自由基仍然具有挑战性。在此，我们通过克服与未活化的 C(sp 3 )-Cl 键在室温下活化相关的固有限制，证明了激发态钯催化合成羟吲哚和异喹啉二酮的烷基化/环化反应。
• FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS
  申请人：Novartis AG

  公开号：US20180312507A1

  公开（公告）日：2018-11-01

  The invention provides compounds of Formula (I) as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and methods to use these compounds, salts and compositions for treating viral infections, particularly infections caused by hepatitis B virus, and reducing the occurrence of serious conditions associated with HBV.

  这项发明提供了如下所述的化合物的化学式(I)，以及药用盐、含有这些化合物的药物组合物，以及使用这些化合物、盐和组合物治疗病毒感染，特别是由乙型肝炎病毒引起的感染，并减少与HBV相关的严重病情发生的方法。