n-butyl 1-chloroethyl ether | 3450-47-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: n-butyl 1-chloroethyl ether
• 英文别名: butyl chloroethyl ether；1-(1-chloro-ethoxy)-butane；butyl-(1-chloro-ethyl)-ether；1-Butoxy-1-chlor-aethan；Butyl-(1-chlor-aethyl)-aether；1-(1-chloroethoxy)butane
• CAS: 3450-47-3
• 化学式: C₆H₁₃ClO
• 分子量: 136.622
• InChiKey: DTHPTRJJKAMCNL-UHFFFAOYSA-N

物化性质

• 沸点：
  48.9-50.3 °C(Press: 11 Torr)
• 密度：
  0.9335 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  8
• 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

反应信息

• 作为反应物：
  描述：

  n-butyl 1-chloroethyl ether 在 氢溴酸 作用下， 生成 (1-溴-乙基)-丁基醚
  参考文献：
  名称：

  Schosstakowski; Bogdanowa, Zhurnal Obshchei Khimii, 1947, vol. 17, p. 573

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烯基正丁醚 在 三氯化磷 作用下， 生成 n-butyl 1-chloroethyl ether
  参考文献：
  名称：

  Kazankova; Trostyanskaya; Efimova, Russian Journal of Organic Chemistry, 1996, vol. 32, # 11, p. 1606 - 1619

  摘要：

  DOI：
• 作为试剂：
  描述：

  乙烯基正丁醚 、 水杨酸 在 n-butyl 1-chloroethyl ether 作用下， 生成 salicylic acid-(1-butoxy-ethyl ester)
  参考文献：
  名称：

  Reppe et al., Justus Liebigs Annalen der Chemie, 1956, vol. 601, p. 81,104

  摘要：

  DOI：

文献信息

• Cobalt(II)chloride catalysed cleavage of ethers with acyl halides: Scope and mechanism
  作者：Javed Iqbal、Rajiv Ranjan Srivastava

  DOI：10.1016/s0040-4020(01)96041-7

  日期：1991.5

  Cobalt (II) chloride in acetonitrile catalyses the cleavage of a wide variety of ethers with acyl halides under mild conditions to give the corresponding esters in good yields. Acyclic aliphatic ethers are cleaved to the corresponding ester and chlorides whereas the cyclic aliphatic ethers give rise to the ω-chloroesters. The benzyl ethers can be converted to the corresponding esters along with the

  乙腈中的氯化钴（II）在温和的条件下催化多种醚与酰基卤的裂解，从而以高收率得到相应的酯。无环脂族醚裂解成相应的酯和氯化物，而环脂族醚产生ω-氯代酯。苄基醚可与苄基氯和苄基乙酰胺一起形成相应的酯。烯丙基和苄基醚裂解的比较研究表明，苄基醚可以在烯丙基醚存在下选择性裂解。可以以高度区域选择性的方式将环氧乙烷酮裂解为相应的β-氯代酯。乙烯基醚经历sp 2在这些条件下的-杂化的碳-氧键裂解。基于产物分析，讨论了涉及电子转移，随后进行O-酰化以及氯离子对S N 1或S N 2的攻击的机理。
• Cyclic amine compounds as CCR5 antagonists
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06562978B1

  公开（公告）日：2003-05-13

  A compound of formula (I) (wherein R1 is a hydrogen atom, a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, R2 is a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, or R1 and R2 may combine to each other together with A to form a heterocyclic group which may be substituted; A is N or N+—R5.Y−(R5 is a hydrocarbon group; Y− is a counter anion); R3 is a cyclic hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; n is 0 or 1; R4 is a hydrogen atom, a hydrocarbon group which may be substituted, a heterocyclic group which may be substituted, an alkoxy group which may be substituted, an aryloxy group which may be substituted, or an amino group which may be substituted, E is a divalent aliphatic hydrocarbon group which may be substituted by group(s) other than oxo; G1 is a bond, CO or SO2; G2 is CO, SO2, NHCO, CONH or OCO; J is methine or a nitrogen atom; and each of Q and R is a bond or a divalent C1-3 aliphatic hydrocarbon which may be substituted; provided that J is methine when G2 is OCO, that one of Q and R is not a bond when the other is a bond and that each of Q and R is not substituted by oxo group(s) when G1 is a bond) or a salt thereof has a potent CCR5 antagonistic activity and can be advantageously used for the treatment or prevention of infectious disease of various HIV in human (e.g. AIDS).

  式（I）的化合物（其中R1是氢原子，可能被取代的碳氢基团，可能被取代的非芳香杂环基团，R2是可能被取代的碳氢基团，可能被取代的非芳香杂环基团，或R1和R2可以彼此结合与A一起形成可能被取代的杂环基团；A是N或N+—R5.Y−（R5是碳氢基团；Y−是一个对离子）；R3是可能被取代的环烃基团或可能被取代的杂环基团；n为0或1；R4是氢原子，可能被取代的碳氢基团，可能被取代的杂环基团，可能被取代的烷氧基团，可能被取代的芳基氧基团，或可能被取代的氨基团；E是可能被除氧以外的基团取代的二价脂肪族碳氢基团；G1是键，CO或SO2；G2是CO，SO2，NHCO，CONH或OCO；J是亚甲基或氮原子；Q和R中的每一个是键或可能被取代的二价C1-3脂肪族碳氢基团；条件是当G2为OCO时J为亚甲基，当另一个为键时Q和R中的一个不是键，当G1为键时Q和R中的每一个都不被氧基取代）或其盐具有强大的CCR5拮抗活性，并可优势用于治疗或预防人类体内各种HIV引起的传染病（例如艾滋病）。
• Heterocyclic triazolylethyl ether compounds and their use as pesticides
  申请人：Imperial Chemical Industries Limited

  公开号：US04315016A1

  公开（公告）日：1982-02-09

  Fungicidal compounds of the formula: ##STR1## wherein R.sub.3 is hydrogen, R.sub.4 is phenyl optionally substituted with one halogen, and R.sub.5 is alkyl having up to 5 carbon atoms, alkenyl having up to 5 carbon atoms, alkynyl having up to 5 carbon atoms or monochlorophenoxymethyl or R.sub.5 is benzyl optionally ring substituted with up to three substituents selected from the class consisting of halogen, alkyl having up to 4 carbon atoms and alkoxy having up to 4 carbon atoms, or a fungicidal acid salt of such a compound.

  式为##STR1##的杀真菌化合物，其中R.sub.3是氢，R.sub.4是苯基，可选择性地取代一个卤素，R.sub.5是具有多达5个碳原子的烷基，具有多达5个碳原子的烯烃基，具有多达5个碳原子的炔基或单氯苯氧甲基，或R.sub.5是苄基，可选择性地取代环上多达三个取代基，所述取代基选自卤素、具有多达4个碳原子的烷基和具有多达4个碳原子的烷氧基，或者是这种化合物的杀真菌酸盐。
• Synthesis and Antibiotic Activity of 1-Cycloalkoxymethyl-4-dimethylaminopyridinium and 1-[(1-Alkoxy)ethyl]-4-dimethylaminopyridinium Chlorides
  作者：Juliusz Pernak、Lucyna Michalak、Jerzy Krysinski、Zbigniew Kuncewicz

  DOI：10.1002/ardp.19953280611

  日期：——

  (2a–2h) pyridinium chlorides. Reaction of these chlorides with NaOH produces the corresponding 4‐pyridones. All the chlorides synthesized showed antibiotic activity. Particularly high activity against microbes representing cocci, rods, fungi, and bacilli was shown by 1‐cyclododecyloxymethyl‐4‐dimethylaminopyridinium chloride 1d and 1‐[(1‐dodecyloxy)ethyl]‐4‐dimethylaminopyridinium chloride 2f.

  DMAP 很容易与氯甲基环烷基醚和 α-氯乙基烷基醚反应，生成稳定的 (1a – 1e) 和不稳定的 (2a – 2h) 氯化吡啶鎓。这些氯化物与 NaOH 反应生成相应的 4-吡啶酮。所有合成的氯化物都显示出抗生素活性。1- 环十二烷氧基甲基 - 4- 二甲基氨基吡啶鎓氯化物 1d 和 1 - [（1 - 十二烷氧基）乙基] -4 - 二甲基氨基吡啶鎓氯化物 2f 显示出对代表球菌、杆状体、真菌和杆菌的微生物具有特别高的活性。
• [EN] CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS<br/>[FR] COMPOSES D'AMINE CYCLIQUE UTILISES COMME ANTAGONISTES DE CCR5
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001025200A1

  公开（公告）日：2001-04-12

  A compound of formula (I) (wherein R1 is a hydrogen atom, a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, R2 is a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, or R?1 and R2¿ may combine to each other together with A to form a heterocyclic group which may be substituted; A is N or N?+-R5 •Y-(R5¿ is a hydrocarbon group; Y- is a counter anion); R3 is a cyclic hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; n is 0 or 1; R4 is a hydrogen atom, a hydrocarbon group which may be substituted, a heterocyclic group which may be substituted, an alkoxy group which may be substituted, an aryloxy group which may be substituted, or an amino group which may be substituted, E is a divalent aliphatic hydrocarbon group which may be substituted by group(s) other than oxo; G1 is a bond, CO or SO¿2; G?2 is CO, SO¿2?, NHCO, CONH or OCO; J is methine or a nitrogen atom; and each of Q and R is a bond or a divalent C1-3 aliphatic hydrocarbon which may be substituted; provided that J is methine when G2 is OCO, that one of Q and R is not a bond when the other is a bond and that each of Q and R is not substituted by oxo group(s) when G?1¿ is a bond) or a salt thereof has a potent CCR5 antagonistic activity and can be advantageously used for the treatment or prevention of infectious disease of various HIV in human (e.g. AIDS).

  化合物式为（I）（其中R1是氢原子，可被取代的碳氢基团，可被取代的非芳香杂环基团，R2是可被取代的碳氢基团，可被取代的非芳香杂环基团，或R1和R2可以与A一起结合形成可被取代的杂环基团；A是N或N+ -R5 • Y-（R5是碳氢基团；Y-是反离子）；R3是可被取代的环烃基团或可被取代的杂环基团；n为0或1；R4是氢原子，可被取代的碳氢基团，可被取代的杂环基团，可被取代的烷氧基，可被取代的芳氧基，或可被取代的氨基，E是可被除氧基以外的基取代的二价脂肪烃基团；G1是键，CO或SO2；G2是CO，SO2，NHCO，CONH或OCO；J是甲基或氮原子；Q和R中的每一个都是一个键或一个可被取代的二价C1-3脂肪基团；前提是当G2是OCO时，J是甲基，当另一个是键时，其中一个不是键，当G1是键时，Q和R中的每一个都没有被氧基团取代）或其盐具有强效的CCR5拮抗活性，并可用于人类各种HIV感染疾病（例如艾滋病）的治疗或预防。