1-氯-6-苯氧基己烷 | 71933-93-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-氯-6-苯氧基己烷
• 英文名称: 1-chloro-6-phenoxyhexane
• 英文别名: Chlorhexylphenylether；(6-chloro-hexyl)-phenyl ether；(6-Chlor-hexyl)-phenyl-aether；(ζ-Chlor-hexyl)-phenyl-aether；((6-Chlorohexyl)oxy)benzene；6-chlorohexoxybenzene
• CAS: 71933-93-2
• 化学式: C₁₂H₁₇ClO
• 分子量: 212.719
• InChiKey: PAWDGNGDJVDMMM-UHFFFAOYSA-N

物化性质

• 沸点：
  164-165 °C(Press: 11 Torr)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-氯-6-苯氧基己烷 在 乙醇 、 sodium iodide 作用下， 生成 ((6-iodohexyl)oxy)benzene
  参考文献：
  名称：

  v. Braun; Mueller, Chemische Berichte, 1906, vol. 39, p. 4115

  摘要：

  DOI：
• 作为产物：
  描述：

  1,6-二氯己烷 、 苯酚 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 反应 16.0h， 以82%的产率得到1-氯-6-苯氧基己烷
  参考文献：
  名称：

  Homologs of Idoxifene:  Variation of Estrogen Receptor Binding and Calmodulin Antagonism with Chain Length

  摘要：

  A series of homologs of idoxifene [1a, (E)-1-[4-(N-pyrrolidinoethoxy)phenyl]-1-(4-iodophenyl)-2-phenyl-1-butene] and selected homologs of 4-iodotamoxifen [2a, (E)-1-[4-[N-dimethylamino)-ethoxy]phenyl]-1-(4-iodophenyl)-2-phenyl-1-butene] with the side chain (CH2)(n) varying in length from n = 3 (1b, 2b) to n = 10 (1i, 2i) have been synthesized and tested for antagonism of the calmodulin-dependent activity of cAMP phosphodiesterase and for binding affinity to rat uterine estrogen receptor. Compared with 1a (IC50 = 1.5 mu M), the homologs showed a progressive increase in calmodulin antagonism with a maximum inhibition at n = 7-9 (1f-h) (IC50 = 0.2 mu M), declining at n = 10 (1i) to IC50 = 1.6 mu M. In the pyrrolidino series, estrogen receptor binding affinity peaked at n = 3 (1b, RBA = 23; estradiol = 100), declining by n = 10 (1i) to RBA = 0.4, but the homolog n = 8 (1g, RBA = 3.5) was still comparable to tamoxifen (RBA = 3.9). A similar pattern of activity was seen for the dimethylamino counterparts. These compounds represent a new class of antiestrogens with potent calmodulin antagonism.

  DOI：

  10.1021/jm9505472

文献信息

• METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER
  申请人：Kaneka Corporation

  公开号：EP3388454A1

  公开（公告）日：2018-10-17

  The object of the present invention is to provide a method for producing a (meth)acryloyl-terminated polyisobutylene polymer in which the auxiliary material used in the manufacture is easily removed, the burden of purification step and waste amount are decreased, and the transparency of the polymer is excellent. The method for producing the (meth)acryloyl-terminated polyisobutylene polymer contains a step 1 of polymerizing an isobutylene monomer under the presence of a Lewis acid catalyst to prepare a halogen-terminated polyisobutylene polymer (B), a step 2 of reacting the halogen-terminated polyisobutylene polymer (B) with a compound (C) having a halogen group and a phenoxy group under the presence a Lewis acid catalyst to prepare a halogenated phenoxyalkyl-terminated polyisobutylene polymer (D), and a step 3 of reacting the halogenated phenoxyalkyl-terminated polyisobutylene polymer (D) with an acrylic acid compound (E) to prepare the (meth)acryloyl-terminated polyisobutylene polymer (A).

  本发明的目的是提供一种生产(甲基)丙烯酰基封端的聚异丁烯聚合物的方法，该方法易于去除生产中使用的辅助材料，减少了纯化步骤的负担和废物量，并且聚合物的透明度极佳。(甲基)丙烯酰基封端聚异丁烯聚合物的生产方法包括步骤 1：在路易斯酸催化剂存在下聚合异丁烯单体，制备卤素封端聚异丁烯聚合物 (B)、步骤 2：在路易斯酸催化剂存在下，将卤素封端聚异丁烯聚合物（B）与具有卤素基和苯氧基的化合物（C）反应，制备卤代苯氧基烷基封端聚异丁烯聚合物（D），步骤 3：将卤代苯氧基烷基封端聚异丁烯聚合物（D）与丙烯酸化合物（E）反应，制备（甲基）丙烯酰基封端聚异丁烯聚合物（A）。
• Method of producing (meth)acryloyl-terminated polyisobutylene polymer
  申请人：Kaneka Corporation

  公开号：US10604598B2

  公开（公告）日：2020-03-31

  A method for producing a (meth)acryloyl-terminated polyisobutylene polymer includes a step 1 of polymerizing an isobutylene monomer under the presence of a Lewis acid catalyst to prepare a halogen-terminated polyisobutylene polymer (B), a step 2 of reacting the halogen-terminated polyisobutylene polymer (B) with a compound (C) having a halogen group and a phenoxy group under the presence a Lewis acid catalyst to prepare a halogenated phenoxyalkyl-terminated polyisobutylene polymer (D), and a step 3 of reacting the halogenated phenoxyalkyl-terminated polyisobutylene polymer (D) with an acrylic acid compound (E) to prepare the (meth)acryloyl-terminated polyisobutylene polymer (A).

  一种生产(甲基)丙烯酰基封端聚异丁烯聚合物的方法包括以下步骤 1 在路易斯酸催化剂存在下聚合异丁烯单体，制备卤素封端聚异丁烯聚合物 (B)、步骤 2：在路易斯酸催化剂存在下，将卤素封端聚异丁烯聚合物（B）与具有卤素基团和苯氧基基团的化合物（C）反应，制备卤代苯氧基烷基封端聚异丁烯聚合物（D），步骤 3：将卤代苯氧基烷基封端聚异丁烯聚合物（D）与丙烯酸化合物（E）反应，制备（甲基）丙烯酰基封端聚异丁烯聚合物（A）。
• Synthesis and pharmacological evaluation of benzamide derivatives as selective 5-HT4 receptor agonists
  作者：Shuji Sonda、Toshio Kawahara、Kenichi Katayama、Noriko Sato、Kiyoshi Asano

  DOI：10.1016/j.bmc.2005.02.016

  日期：2005.5

  It is thought that selective 5-HT4 receptor agonists-such as 4-amino-5-chloro-2-metboxy-N-[1-(6-oxo-6-phenylhexyl)piperidin-4-ylmethyl]benzamide (2)-have the ability to enhance both upper and lower gastrointestinal motility without any significant adverse effects.Modification of 2 was performed. Variation of the piperidin-4-ylmethyl moiety of 2 led to a decrease in the binding affinity for the 5-HT4 receptor. Following conversion of the carbonyl group on the benzoyl part to a hydroxyl or sulfoxide group, the binding affinity for the 5-HT4 receptor was retained although the effect on defecation was reduced. Many of the 4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamides that had a ether or sulfide moiety in the side-chain part at the 1-position of the piperidine exhibited high affinity for the 5-HT4 receptor.Among these, phenylthio 41c and benzylthio derivative 44 were selective 5-HT4 receptor agonists, and had a similar effect on defecation to compound 2. (c) 2005 Elsevier Ltd. All rights reserved.
• Oki,M.; Mutai,K., Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 1969, vol. 25, p. 1941 - 1951
  作者：Oki,M.、Mutai,K.

  DOI：——

  日期：——
• v. Braun; Mueller, Chemische Berichte, 1906, vol. 39, p. 4112
  作者：v. Braun、Mueller

  DOI：——

  日期：——