3-乙炔吡啶-2-醇 | 142502-88-3

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-乙炔吡啶-2-醇
• 中文别名: 3-乙炔基-2(1H)-吡啶酮
• 英文名称: 3-ethynyl-2-pyridinol
• 英文别名: 3-ethynyl-1H-pyridin-2-one
• CAS: 142502-88-3
• 化学式: C₇H₅NO
• mdl: MFCD13189767
• 分子量: 119.123
• InChiKey: DYXYXOXAWBFIIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为产物：
  描述：

  3-溴呋喃[2,3-B]吡啶 以57%的产率得到
  参考文献：
  名称：

  Shiotani Shunsaku, Morita Hiroyuki, J. Heterocycl. Chem., 29 (1992) N 2, S 413-433

  摘要：

  DOI：

文献信息

• Furopyridines. XXXI. Birch reduction of furopyridines
  作者：Seiji Yamaguchi、Eriko Hamade、Hajime Yokoyama、Yoshiro Hirai、Shunsaku Shiotani

  DOI：10.1002/jhet.5570390215

  日期：2002.3

  Birch reduction of four furopyridines 1a-d effected the characteristic cleavage of the furan ring, giving ethnylpyridinols 2a-d, vinylpyridinols 3b,d, and ethylpyridinols 4a-d, and the reduction of the furan ring, giving dihydrofuropyridine 5c,d.

  桦木还原四个呋喃吡啶1a-d可实现呋喃环的特征裂解，从而得到乙炔吡啶2a-d，乙烯基吡啶3b，d和乙基吡啶4a-d，并还原呋喃环从而生成二氢呋喃吡啶5c，d。
• Shiotani, Shunsaku; Morita, Hiroyuki, Journal of Heterocyclic Chemistry, 1992, vol. 29, # 2, p. 413 - 422
  作者：Shiotani, Shunsaku、Morita, Hiroyuki

  DOI：——

  日期：——
• Use of hydrogen bonds to control molecular aggregation. Behavior of a self-complementary dipyridone designed to self-replicate
  作者：Francois Persico、James D. Wuest

  DOI：10.1021/jo00053a020

  日期：1993.1

  In principle, the simple dipyridone 4 encodes enough chemical information to allow it to self-replicate by acting as a template for the assembly and controlled oxidative coupling of ethynylpyridone subunits 5 and 6. This could occur by the formation of ternary hydrogen-bonded complex 18, followed by copper-induced oxidative coupling of the bound ethynylpyridone subunits. In fact, treatment of an equimolar mixture of compounds 5 and 6 with excess CuCl.TMEDA and O2 in a variety of solvents produced only a normal statistical ratio of dipyridone 4 and symmetric isomers 10 and 11. This is presumably because dipyridone 4 is too highly self-associated to permit the formation of significant amounts of ternary complex 18. Moreover, even if dipyridone 4 can act as a template for the juxtaposition of its subunits, it may not be able to promote the subsequent copper-induced oxidative coupling that joins them together.