Sodium;but-2-en-1-olate | 36402-12-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Sodium;but-2-en-1-olate
• CAS: 36402-12-7
• 化学式: C₄H₇O*Na
• 分子量: 94.0887
• InChiKey: HRTJALZNEYRPKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.07
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Sodium;but-2-en-1-olate 、 4-Chloro-6-fluoro-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 以 四氢呋喃 为溶剂， 生成 4-[((E)-But-2-enyl)oxy]-6-fluoro-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
  参考文献：
  名称：

  Synthesis and Evaluation of Efavirenz (SustivaTM) Analogues as HIV-1 Reverse Transcriptase Inhibitors: Replacement of the Cyclopropylacetylene Side Chain

  摘要：

  Two series of efavirenz analogues have been developed: one in which the cyclopropane ring has been replaced by small heterocycles and another in which the entire acetylenic side chain has been replaced by alkyloxy groups. Several members of both series show equivalent potency to efavirenz against both wild-type virus and the key K103N mutant. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00192-5

文献信息

• The use of sulfonylamido pyrimidines incorporating an unsaturated side chain as endothelin receptor antagonists
  作者：Martin H Bolli、Christoph Boss、Martine Clozel、Walter Fischli、Patrick Hess、Thomas Weller

  DOI：10.1016/s0960-894x(02)01084-3

  日期：2003.3

  A series of compounds structurally related to bosentan 1 featuring an unsaturated side chain at position 6 of the core pyrimidine have been studied for their potential to block the ET(A) and ET(B) receptor. Incorporation of a 2-butyne-1,4-diol linker bearing a pyridyl carbamoyl moiety led to in vitro highly potent endothelin receptor antagonists (e.g., 70 and 75). The propargyl derivative 26 significantly

  研究了一系列与波生丹1结构相关的化合物，这些化合物在嘧啶核的6位上具有不饱和侧链，具有阻断ET（A）和ET（B）受体的潜力。掺入带有吡啶基氨基甲酰基部分的2-丁炔-1，4-二醇接头导致体外高效的内皮素受体拮抗剂（例如70和75）。在高血压盐敏感性Dahl大鼠的体内模型研究中，炔丙基衍生物26显着降低了血压。
• Oxygen and nitrogen heterocycles by intramolecular magnesium- and zinc-ene reactions; Methylenecyclopentanes by Pd(0) - catalyzed isomerization of 5-(bromozincmethyl)-3-methyleneoxacycloalkanes
  作者：J. van der Louw、J.L. van der Baan、H. Stieltjes、F. Bickelhaupt、G.W. Klumpp

  DOI：10.1016/s0040-4039(01)81093-5

  日期：1987.1

  2-(Alkenyloxymethyl)-2-propenylzinc bromides 2a-e and 2-(allylmethylaminomethyl)-2-propenylzinc (or magnesium) halides 2g rearrange thermally to 5-(l-bromozincalkyl)-3-methyleneoxacycloalkanes 1a-e and 5-(bromozinc[or chloromagnesium]methyl)-3-methylene-N-methylpiperidine 1g; some of the former can be isomerized by Pd(PPh3)4 to methylenecyclopentanes 3.

  2-（烯氧基氧甲基）-2-丙烯基溴化锌2a - e和2-（烯丙基甲基氨基甲基）-2-丙烯基锌（或镁）卤化物2g热重排成5-（1-溴锌烷基）-3-亚甲基氧杂环烷烃1a - e和5-（溴锌[或氯镁]甲基）-3-亚甲基-N-甲基哌啶1g ; 某些前者可以被Pd（PPh 3）4异构化为亚甲基环戊烷3。
• Ismailov, S. A., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 10.2, p. 2022 - 2023
  作者：Ismailov, S. A.

  DOI：——

  日期：——