5-(2-Chloro-4-methoxyphenoxy)pentyl bromide | 91944-95-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(2-Chloro-4-methoxyphenoxy)pentyl bromide
• 英文别名: 1-(5-bromopentoxy)-2-chloro-4-methoxybenzene
• CAS: 91944-95-5
• 化学式: C₁₂H₁₆BrClO₂
• 分子量: 307.615
• InChiKey: GZBVIDJPAACMHK-UHFFFAOYSA-N

物化性质

• 沸点：
  378.1±32.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 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：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-二甲基异唑 、 5-(2-Chloro-4-methoxyphenoxy)pentyl bromide 在 正丁基锂 作用下， 生成 5-[6-(2-Chloro-4-methoxyphenoxy)hexyl]-3-methylisoxazole
  参考文献：
  名称：

  Ellipticine derivatives with an affinity to the estrogen receptor. An approach to develop intercalating drugs with a specific effect on the hormone-dependent breast cancer

  摘要：

  In order to obtain breast tumor directed agents, we have prepared mixed compounds using estradiol or (E)-clomiphene as specific vectors of the breast tissue and a DNA intercalator from the ellipticine series as the cytotoxic agent. Among the newly synthesized ellipticine derivatives, only the 2-[3-aza-5-(3,17 beta-dihydroxy-1,3,5-estratrien-17 alpha-yl)-4-oxopentamethylene]ellipticinium bromide shows the desired properties, DNA intercalation and affinity for estrogen receptor. Competition experiments with estradiol on the hormone-dependent human MCF-7 breast cancer cell line demonstrate that a transport by the estrogen receptor system is not involved in the antitumor activity of derivative 24.

  DOI：

  10.1021/jm00383a011
• 作为产物：
  描述：

  钾 、 2-氯-4-甲氧基苯酚 、 1,5-二溴戊烷 生成 5-(2-Chloro-4-methoxyphenoxy)pentyl bromide
  参考文献：
  名称：

  Isoxazoles as antiviral agents

  摘要：

  公式：##STR1## 其中R是烷基，X是O或CH.sub.2，n是4到8之间的整数，Ar是苯或取代苯。这些化合物可用作抗病毒剂，特别是对抗小肠病毒。

  公开号：

  US04451476A1

文献信息

• Synthesis of some phosphonates with antiherpetic activity
  作者：G. D. Diana、E. S. Zalay、U. J. Salvador、F. Pancic、B. Steinberg

  DOI：10.1021/jm00371a024

  日期：1984.5

  Several keto phosphonates, phosphonoacetates , and dialkyl phosphonates containing (aryloxy)aryl groups were synthesized and evaluated for antiherpteic activity. Two of the most active compounds, 12 and 16, were evaluated topically in the mouse vaginal model against herpes simplex virus (HSV) type 2. Compound 16 exhibited an increased survival rate, as well as increased survival time. Evaluation of

  合成了几种含（芳氧基）芳基的酮基膦酸酯，膦酸酯，和二烷基膦酸酯，并评估了其抗疱疹活性。在小鼠阴道模型中针对2型单纯疱疹病毒（HSV）局部评估了活性最高的两种化合物12和16。化合物16的存活率提高了，存活时间也增加了。在豚鼠皮肤试验中针对HSV-2进行的评估中有16项评估导致病毒效价以及平均囊泡评分降低。
• Isoxazoles, useful as antiviral agents, and preparation thereof
  申请人：STERLING DRUG INC.

  公开号：EP0111345A2

  公开（公告）日：1984-06-20

  Compounds of the Formulas I or II (herein) wherein R is alkyl, X is 0 or CH2, n is an integer from 4 to 8, and Ar is phenyl or substituted phenyl, useful as antiviral agents especially against picornaviruses. Said compounds are prepared by: a) reacting an alkali metal derivative of 3-R-5-methylisoxazole with a compound of the formula Hal-(CH2)n-X-AR' where Hal is bromine or iodine, and Ar' is phenyl or phenyl substituted by one or two halogen, lower-alkyl, lower-alkoxy, nitro or cyano substituents to produce a compound of the Formula (I) wherein Ar is phenyl or phenyl substituted by one or two substituents which are halogen, lower-alkyl, lower-alkoxy, cyano or tertiary-butyloxy-carbonyl; or b) reacting a compound of the formula where Hal is bromine or iodine, with an alkali metal salt of a compound of the formula where Ar' has the meaning given above, followed by optimal conversions of the phenyl substituents of Ar.

  式 I 或式 II（此处）的化合物，其中 R 为烷基，X 为 0 或 CH2，n 为 4 至 8 的整数，Ar 为苯基或取代苯基，可用作抗病毒剂，特别是抗皮卡病毒剂。上述化合物的制备方法如下 a) 将 3-R-5-甲基异噁唑的碱金属衍生物与式 Hal-( )n-X-AR' 的化合物反应，其中 Hal 是溴或碘，Ar' 是苯基或被一个或两个卤素、低级烷基、低级烷氧基、硝基或氰基取代基取代的苯基，生成式 (I) 的化合物，其中 Ar 是苯基或被一个或两个卤素、低级烷基、低级烷氧基、氰基或叔丁氧基羰基取代的苯基；或 b) 式中化合物发生反应 式中 Hal 为溴或碘的化合物与式中化合物的碱金属盐反应 其中 Ar'具有上述含义，然后对 Ar 的苯基取代基进行最佳转化。
• DIANA, G. D.;MCKINLAY, M. A.;BRISSON, C. J.;ZALAY, E. S.;MIRALLES, J. V.;+, J. MED. CHEM., 1985, 28, N 6, 748-752
  作者：DIANA, G. D.、MCKINLAY, M. A.、BRISSON, C. J.、ZALAY, E. S.、MIRALLES, J. V.、+

  DOI：——

  日期：——
• US4451476A
  申请人：——

  公开号：US4451476A

  公开（公告）日：1984-05-29