4-氯丁基甲基醚 | 17913-18-7

• 物质功能分类: 原料药 - 神经系统用药 - 抗抑郁、躁狂药
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氯丁基甲基醚
• 中文别名: 1-氯-4-甲氧基丁烷；4-氯丁基甲醚；氯丁基甲醚；4-甲氧基氯丁烷
• 英文名称: 4-(methoxy)-1-chlorobutane
• 英文别名: 1-chloro-4-methoxybutane；4-chlorobutyl methyl ether；4-Chlorbutyl-methylether；methyl 4-chlorobutyl ether；1-Chlor-4-methoxy-butan
• CAS: 17913-18-7
• 化学式: C₅H₁₁ClO
• 分子量: 122.595
• InChiKey: DFLRARJQZRCCKN-UHFFFAOYSA-N

物化性质

• 沸点：
  142.5-142.8 °C
• 密度：
  0.9875 g/cm3
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 保留指数：
  840.3;847.3

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  7
• 可旋转键数：
  4
• 环数：
  0.0
• 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

• 海关编码：
  2909199090
• 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,H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Chloro-4-methoxybutane
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: 1-Chloro-4-methoxybutane
CAS number: 17913-18-7

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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: C5H11ClO
Molecular weight: 122.6

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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 chloride.

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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-氯丁基甲基醚 在 N-甲基咪唑 作用下， 以 氮气 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 以60%的产率得到1-(4-methoxybutyl)-3-methylimidazolium chloride
  参考文献：
  名称：

  COMPOUND, NONAQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE

  摘要：

  提供了一种含有高电导和低粘度化合物的非水溶剂，以及使用该非水溶剂的高性能电力储存装置。该电力储存装置包括一种离子液体。该离子液体包含一种阴离子和一种阳离子，其具有一个五元杂环芳香环，其中至少有一个取代基是由四个或更多原子形成的直链，并包括C、O、Si、N、S和P中的一个或多个。

  公开号：

  US20150140449A1
• 作为产物：
  描述：

  4-甲氧基-1-丁醇 在 吡啶 、 三氯化磷 作用下， 生成 4-氯丁基甲基醚
  参考文献：
  名称：

  绩效评估：是否需要创造性思维？

  摘要：

  该研究考察了 13 至 14 岁女学生的创造性思维能力与其在科学实验室解决问题的能力之间的关系。后者被各种标记为动手解决问题的任务、科学研究和绩效评估。没有提供有关如何解决问题的辅导或指导。任务中嵌入的科学概念在 13 至 14 岁学生的范围内，但任务设置新颖，在教学过程中不太可能由班主任处理。这些任务的解决过程可能涉及以下组成部分：初步试验、计划、执行、沟通、解释和反思任务，为进一步完善任务提供反馈（教育与科学部，英国，1987 年；Toh，1990 年）。该论文研究了创造性思维能力与六个绩效组件中的每一个以及整体表现的相关性。

  DOI：

  10.1002/j.2162-6057.2002.tb01057.x
• 作为试剂：
  描述：

  4-氯丁基甲基醚 、 4-(三氟甲基)苯甲酸甲酯 在 4-氯丁基甲基醚 作用下， 以89的产率得到5-甲氧基-1-[4-(三氟甲基)苯基]-1-戊酮
  参考文献：
  名称：

  WO2014178064A2

  摘要：

  公开号：

文献信息

• PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF
  申请人：MIURA Tomoya

  公开号：US20130085132A1

  公开（公告）日：2013-04-04

  The present invention provides a pyrazole compound of the following general Formula [Ib] having SGLT1 inhibitory activity, or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the same, and its pharmaceutical use: wherein each symbol is the same as defined in the description.

  本发明提供了一种具有SGLT1抑制活性的下式[Ib]所示的吡唑化合物、或其药物可接受的盐、包含该化合物的药物组合物及其医药用途： 其中每个符号如说明书中所定义。
• Efficient and/or selective methylation by diazomethane of alcohols, halo alcohols, glycols, amino alcohols and mercapto alcohols with the use of a proton-exchanged X-type zeolite as an acid-base bifunctional catalyst
  作者：Hiroshi Takeuchi、Hiroaki Kishioka、Kunio Kitajima

  DOI：10.1002/poc.610080212

  日期：1995.2

  Reactions of diazomethane with butanol, allyl alcohol and β- and γ-halo alcohols led to efficient methylation (giving the corresponding methyl ethers) with the use of a proton-exchanged X-type zeolite compared with H2SO4. The reactions with propylene and isobutylene glycols using the zeolite provided regioselective methylation of the primary OH rather than the secondary or tertiary OH, whereas regioselectivity

  与H 2 SO 4相比，使用质子交换的X型沸石，重氮甲烷与丁醇，烯丙醇以及β-和γ-卤代醇的反应导致有效的甲基化（得到相应的甲基醚）。使用沸石与丙烯和异丁二醇的反应提供了伯羟基而不是仲或叔羟基的区域选择性甲基化，而在使用H 2 SO 4的反应中未观察到区域选择性。在沸石而不是H 2 SO 4的存在下，与2-氨基乙醇和2-巯基乙醇的反应分别显示出高化学选择性的S-甲基化和N-单甲基化。该反应机理涉及沸石的酸碱双功能催化，其中酸性位点与重氮甲烷反应形成其共轭酸，碱性位点与沸石的相互作用增强了OH和SH基的亲核性。组的质子。
• [EN] PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES<br/>[FR] PYRROLOCARBOXAMIDES EN TANT QUE MODULATEURS DE L'ACTIVITÉ D'UN RÉCEPTEUR ORPHELIN GAMMA (RORϒ, NR1F3) APPARENTÉ AU RÉCEPTEUR NUCLÉAIRE ORPHELIN RAR ET DESTINÉS AU TRAITEMENT DE MALADIES INFLAMMATOIRES CHRONIQUES ET AUTO-IMMUNES
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2013079223A1

  公开（公告）日：2013-06-06

  The invention provides modulators for the orphan nuclear receptor RORϒ and methods for treating RORϒ mediated diseases by administrating these novel RORϒ modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo carboxamide compounds of Formula (1) and the enantiomers, diastereomers, N-oxides, tautomers, solvates and pharmaceutically acceptable salts thereof.

  本发明提供了针对孤儿核受体RORϒ的调节剂，以及通过向需要的人或哺乳动物施用这些新型RORϒ调节剂来治疗RORϒ介导的疾病的方法。具体而言，本发明提供了式(1)的吡咯甲酰胺化合物及其对映体、非对映体、N-氧化物、互变异构体、溶剂化物和药用可接受的盐。
• Synthesis and olfactory properties of new macrolides from unsaturated fatty acids and 1,ω-diols
  作者：Lars Rodefeld、Ines Heinemann、Werner Tochtermann

  DOI：10.1016/s0040-4020(98)00226-9

  日期：1998.5

  A sequence to oxo lactones 1 via Barbier-type Gilman-Van-Ess reaction, sonochemical Lemieux oxidation, one-step ether cleavage iodination and phase transfer catalyzed cyclization is presented. Conversion of the oxo lactones 1 into methyl(en)ated macrolides 11 – 13 resulted in highly potent musk fragrances.

  序列以氧代内酯1经由巴尔比埃型吉尔曼-VAN-ESS反应，声化学莱米厄氧化，一步到位醚裂解碘化和相转移催化环化呈现。将羰基内酯1转化为甲基化的大环内酯类化合物11-13会产生高度有效的麝香香气。
• Imidazole derivatives
  申请人：Welfide Corporation

  公开号：US06288061B1

  公开（公告）日：2001-09-11

  The present invention relates to the imidazole derivative of the following formula (I) wherein R1 is hydrogen, optionally substituted alkyl and the like, R2 is hydrogen, optionally substituted alkyl and the like, R3is optionally substituted heteroaryl, R4 is optionally substituted cycloalkyl, optionally substituted phenyl and the like, provided that when R1 is hydrogen, and R2 and R4 are the same or different and each is phenyl or phenyl substituted by halogen atom, lower alkyl or lower alkoxy, R3 is benzothiazolyl or thiazolyl substituted by phenyl, the imidazole derivative of the following formula (XII) wherein R6 is optionally substituted phenyl or optionally substituted heteroaryl and R7 is substituted phenyl, and pharmaceutically acceptable salts thereof. The compounds of the formulas (I) and (XII) and pharmaceutically acceptable salts thereof of the present invention inhibit IL-4 and IL-5 production by Th2 cells and are effective for the prophylaxis and treatment of allergic diseases such as atopic dermatitis, bronchial asthma, allergic rhinitis and the like.

  本发明涉及以下式（I）的咪唑衍生物 其中R1是氢，可选择地取代的烷基等，R2是氢，可选择地取代的烷基等，R3是可选择地取代的杂芳基，R4是可选择地取代的环烷基，可选择地取代的苯基等，但当R1是氢，且R2和R4相同或不同，且每个是苯基或被卤原子、较低烷基或较低烷氧基取代的苯基时，R3是苯并噻唑基或被苯基取代的噻唑基，以下式（XII）的咪唑衍生物 其中R6是可选择地取代的苯基或可选择地取代的杂芳基，R7是被取代的苯基，以及其药学上可接受的盐。本发明的式（I）和（XII）的化合物及其药学上可接受的盐通过抑制Th2细胞产生IL-4和IL-5，在预防和治疗特应性皮炎、支气管哮喘、过敏性鼻炎等过敏性疾病方面具有有效性。

表征谱图