4-(4-(苄氧基)苯基)丁酸 | 6686-26-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(4-(苄氧基)苯基)丁酸
• 英文名称: 4-(4-benzyloxyphenyl)butyric acid
• 英文别名: 4-[4-(Benzyloxy)phenyl]butanoic acid；4-(4-phenylmethoxyphenyl)butanoic acid
• CAS: 6686-26-6
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: RKDXPVYOANKPNA-UHFFFAOYSA-N

物化性质

• 沸点：
  442.8±25.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-(苄氧基)苯基)丁酸 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 全氯苯基4-(4-羟基苯基)丁酸酯
  参考文献：
  名称：

  Cevasco, Giorgio; Thea, Sergio, Gazzetta Chimica Italiana, 1997, vol. 127, # 5, p. 269 - 272

  摘要：

  DOI：
• 作为产物：
  描述：

  (benzyloxy)benzene 在 aluminum (III) chloride 、 一水合肼 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 4-(4-(苄氧基)苯基)丁酸
  参考文献：
  名称：

  用二乙基氨基三氟化硫和（三氟甲基）三甲基硅烷对甲硅烷基醚和β-萘酚进行亲电三氟甲基硫醇化

  摘要：

  利用二乙基氨基三氟化硫（DAST）和（三氟甲基）三甲基硅烷（CF 3 TMS）的组合作为合成三α-三氟甲硫基羰基化合物的亲电三氟甲硫基化合物，已经完成了甲硅烷基醚和β-萘酚的高效且通用的三氟甲硫基化反应。β萘酚的收率很高。该方法的重要特征包括宽泛的官能团耐受性和使用现成的DAST / CF 3 TMS。通过α-三氟甲基硫醇化（+）-4-胆甾烯-3-酮和萘醌的合成证明了该方法的潜力。

  DOI：

  10.1002/adsc.201800366

文献信息

• Antagonists of gonadotropin releasing hormone
  申请人：Merck & Co., Inc.

  公开号：US05756507A1

  公开（公告）日：1998-05-26

  There are disclosed compounds of formula (I) ##STR1## and pharmaceutically acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related and other conditions in both men and women.

  公式（I）的化合物及其药学上可接受的盐已被披露，它们可作为GnRH拮抗剂，并因此可能对男性和女性的各种性激素相关和其他疾病的治疗有用。
• Antiprotozoal quinones. I. Synthesis of 2-hydrox[-3-alkyl-1,4-naphthoquinones as potential coccidiostats
  作者：Frank J. Bullock

  DOI：10.1021/jm00309a002

  日期：1968.5
• Initial structure–activity relationship of a novel class of nonpeptidyl GnRH receptor antagonists: 2-arylindoles
  作者：Lin Chu、Jennifer E. Hutchins、Ann E. Weber、Jane-Ling Lo、Yi-Tien Yang、Kang Cheng、Roy G. Smith、Michael H. Fisher、Matthew J. Wyvratt、Mark T. Goulet

  DOI：10.1016/s0960-894x(00)00707-1

  日期：2001.2

  A nonpeptidyl GnRH receptor antagonist (1), with a unique 2-arylindole core, was identified through the Merck inhouse screening for binding affinity on the rat GnRH receptor. SAR studies directed toward the alkoxy-ethanolamine and 2-aryl groups resulted in a simpler lead structure with improved activity. This compound 50 exhibits a 60-fold improvement in binding activity over our initial lead 1. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Head-to-tail connected double calix[4]arenes
  作者：W. Wąsikiewicz、G. Rokicki、J. Kiełkiewicz、E. F. Paulus、V. Böhmer

  DOI：10.1007/bf00807096

  日期：1997.8

  New macrotricyclic compounds consisting of two calix[4]arene substructures connected by aliphatic chains of various length (three to five carbon atoms) between two opposite p-positions and two distal phenolic oxygens have been synthesized. Starting with p-tert-butyl-calix[4] arene, two O-protected phenolic units are attached via ether links in 1,3-position by reaction with the corresponding tosylates. After deprotection, the new calix[4]arene is formed by fragment condensation with 2,6-bisbromomethylated 4-alkylphenols. The structure of one example (8c) has been confirmed by single crystal X-ray analysis. Both calixarene parts assume the cone conformation, a molecule of acetonitrile being included in both cavities.
• SAR studies of novel 5-substituted 2-arylindoles as nonpeptidyl GnRH receptor antagonists
  作者：Lin Chu、Jane-Ling Lo、Yi-Tien Yang、Kang Cheng、Roy G. Smith、Michael H. Fisher、Matthew J. Wyvratt、Mark T. Goulet

  DOI：10.1016/s0960-894x(00)00708-3

  日期：2001.2

  The discovery of the potency-enhancing effect of 5-substitutions on the novel 2-arylindoles as nonpeptidyl GnRH receptor antagonists led to the identification of several analogues with high affinities on the GnRH receptor. The syntheses and SARs of these 5-substituted-2-arylindole analogues are reported. (C) 2001 Elsevier Science Ltd. All rights reserved.