10,11-二氢-5H-苯并[4,5]环庚并[1,2-b]吡啶-5-醇 | 17895-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 中文名称: 10,11-二氢-5H-苯并[4,5]环庚并[1,2-b]吡啶-5-醇
• 英文名称: 10,11-Dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol
• 英文别名: 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
• CAS: 17895-95-3
• 化学式: C₁₄H₁₃NO
• 分子量: 211.263
• InChiKey: AAKDNSACNDXLSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  10,11-二氢-5H-苯并[4,5]环庚并[1,2-b]吡啶-5-醇 在 manganese(IV) oxide 作用下， 以 苯 为溶剂， 反应 12.0h， 生成 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one
  参考文献：
  名称：

  Cyclizations of phenylethyl-substituted pyridinecarboxaldehydes

  摘要：

  Several phenylethyl-substituted pyridinecarboxaldehydes were prepared from 2-bromo-3-pyridinecarboxaldehyde and these substances are found to undergo cyclization reactions in acidic media. In the absence of added nucleophile, acid-promoted cyclization and oxidation (MnO2) provide an efficient route to 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ones. Arene nucleophiles may also be added to the acidic mixture to provide good yields of triarylmethane products. Mechanisms are proposed involving dicationic superelectrophilic intermediates. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.004
• 作为产物：
  描述：

  2-溴-3-吡啶甲醛 在 manganese(IV) oxide 、 copper(l) iodide 、 四(三苯基膦)钯 、 三氟甲磺酸 、 5%-palladium/activated carbon 、 氢气 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙酸乙酯 、 苯 为溶剂， 20.0~25.0 ℃ 、1.38 MPa 条件下， 反应 16.0h， 生成 10,11-二氢-5H-苯并[4,5]环庚并[1,2-b]吡啶-5-醇
  参考文献：
  名称：

  Cyclizations of phenylethyl-substituted pyridinecarboxaldehydes

  摘要：

  Several phenylethyl-substituted pyridinecarboxaldehydes were prepared from 2-bromo-3-pyridinecarboxaldehyde and these substances are found to undergo cyclization reactions in acidic media. In the absence of added nucleophile, acid-promoted cyclization and oxidation (MnO2) provide an efficient route to 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ones. Arene nucleophiles may also be added to the acidic mixture to provide good yields of triarylmethane products. Mechanisms are proposed involving dicationic superelectrophilic intermediates. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.004

文献信息

• Piperazine derivative or its salt, process for producing the same and
  申请人：Toyama Chemical Co., Ltd.

  公开号：US04948796A1

  公开（公告）日：1990-08-14

  A piperazine derivative represented by the following formula or a salt thereof: ##STR1## which is useful for curing cerebro-vascular disease and post-cerebro-vascular disease.

  一种哌嗪衍生物，其化学式如下，或其盐：##STR1## 该化合物对治疗脑血管疾病和脑血管后遗症有用。
• XIRAIVA, TORU;TAKEHDA, KEHNDZI;NAKANO, DZEDZI;SUYA, MINEHITI;FURUXATA, KU+
  作者：XIRAIVA, TORU、TAKEHDA, KEHNDZI、NAKANO, DZEDZI、SUYA, MINEHITI、FURUXATA, KU+

  DOI：——

  日期：——
• HIRAIWA, TORU;TAKEDA, KENJI;NAKANO, JOJI;SUDANI, MINEICHI;FURUHATA, KUNIK+
  作者：HIRAIWA, TORU、TAKEDA, KENJI、NAKANO, JOJI、SUDANI, MINEICHI、FURUHATA, KUNIK+

  DOI：——

  日期：——
• US4948796A
  申请人：——

  公开号：US4948796A

  公开（公告）日：1990-08-14
• Cyclizations of phenylethyl-substituted pyridinecarboxaldehydes
  作者：Rajasekhar Reddy Naredla、Douglas A. Klumpp

  DOI：10.1016/j.tet.2013.01.004

  日期：2013.3

  Several phenylethyl-substituted pyridinecarboxaldehydes were prepared from 2-bromo-3-pyridinecarboxaldehyde and these substances are found to undergo cyclization reactions in acidic media. In the absence of added nucleophile, acid-promoted cyclization and oxidation (MnO2) provide an efficient route to 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ones. Arene nucleophiles may also be added to the acidic mixture to provide good yields of triarylmethane products. Mechanisms are proposed involving dicationic superelectrophilic intermediates. (c) 2013 Elsevier Ltd. All rights reserved.