ethyl 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)acetate | 153783-95-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)acetate
• 英文别名: ethyl {[2-(4-methoxyphenyl)-2-oxoethyl]thio}acetate；ethyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylacetate
• CAS: 153783-95-0
• 化学式: C₁₃H₁₆O₄S
• mdl: MFCD12645539
• 分子量: 268.334
• InChiKey: GTFQEOGFROUEMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)acetate 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以60%的产率得到Ethyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfonylacetate
  参考文献：
  名称：

  Reddy, D. Bhaskar; Reddy, M. Muralidhar; Reddy, P. V. Ramana, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 10, p. 1018 - 1023

  摘要：

  DOI：
• 作为产物：
  描述：

  alpha-溴-4-甲氧基苯乙酮 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 28.0h， 生成 ethyl 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)acetate
  参考文献：
  名称：

  使用芳烃的Uxpol-Oxa- [2,3]嗜向性重排反应，用于功能化烯醇醚的合成

  摘要：

  据报道涉及芳烃的oxa- [2,3]σ重排以酮为主体，其中的C═O键极性相反。β-酮硫醚和芳烃在原位生成的硫烷基化物经过有效的重排，可以轻松，稳健地合成高官能度的烯醇醚，并具有出色的官能团相容性。初步的机理研究排除了在这种情况下运行Pummerer型重排的可能性。

  DOI：

  10.1021/acs.orglett.1c00911

文献信息

• [EN] DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY<br/>[FR] DERIVES DIPHENYLAZETIDINONE A ACTIVITE INHIBITRICE DE L'ABSORPTION DU CHOLESTEROL
  申请人：ASTRAZENECA AB

  公开号：WO2005061452A1

  公开（公告）日：2005-07-07

  Compounds of formula (I) (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  化合物的结构式（其中变量基团如定义所示）及其药学上可接受的盐、溶剂合物、该类盐的溶剂合物和它们的前药，以及它们作为治疗高脂血症的胆固醇吸收抑制剂的用途被描述。还描述了它们的制备方法和含有它们的药物组合物。
• Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity
  申请人：Alenfalk Susanne

  公开号：US20100099657A2

  公开（公告）日：2010-04-22

  Compounds of formula (I) (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本文介绍了化学式(I)的化合物（其中变量基团的定义如上所述），其药学上可接受的盐、此类盐的溶剂化合物、溶剂化合物的前药及其作为治疗高脂血症的胆固醇吸收抑制剂的用途。本文还介绍了它们的制造过程和含有它们的制药组合物。
• 1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors
  作者：Peng Zhan、Xinyong Liu、Yuan Cao、Yan Wang、Christophe Pannecouque、Erik De Clercq

  DOI：10.1016/j.bmcl.2008.09.055

  日期：2008.10

  A novel series of 1,2,3-thiadiazole thioacetanilide (TTA) derivatives have been designed, synthesized and evaluated for its anti-HIV activities in MT-4 cells. Some derivatives proved to be highly effective in inhibiting HIV-1 replication at nanomolar concentrations. Among them, 2-[4-(2,4-dichlorophenyl)-1,2,3-thiadiazol-5- ylthio]-N-(2-nitrophenyl)acetamide 7d2 was identified as the most promising compound (EC(50) = 0.059 +/- 0.02 mu M, CC(50) > 283.25 mu M, SI > 4883). The structure-activity relationship (SAR) of these novel structural congeners is discussed. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.
• Bhaskar Reddy D., Muralidhar Reddy M., Ramana Reddy P. V., Indian J. Chem. B, 32 (1993) N 10, S 1018-1023
  作者：Bhaskar Reddy D., Muralidhar Reddy M., Ramana Reddy P. V.

  DOI：——

  日期：——
• Reddy, D. Bhaskar; Reddy, M. Muralidhar; Reddy, P. V. Ramana, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 10, p. 1018 - 1023
  作者：Reddy, D. Bhaskar、Reddy, M. Muralidhar、Reddy, P. V. Ramana

  DOI：——

  日期：——