2,3-二氢-1H-异吲哚-2-乙醇 | 57944-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2,3-二氢-1H-异吲哚-2-乙醇
• 英文名称: N-(2-hydroxyethyl)isoindoline
• 英文别名: 2-<2-Hydroxy-ethyl>-isoindolin；2-(1,3-dihydro-isoindol-2-yl)-ethanol；2-isoindolin-2-yl-ethanol；2-Isoindolin-2-yl-aethanol；2-(2-hydroxyethyl) isoindoline；2-(1,3-dihydro-2H-isoindol-2-yl)ethanol；2-(1,3-dihydroisoindol-2-yl)ethanol
• CAS: 57944-79-3
• 化学式: C₁₀H₁₃NO
• mdl: MFCD08361687
• 分子量: 163.219
• InChiKey: RPYLGKKUWYIZNY-UHFFFAOYSA-N

物化性质

• 沸点：
  167-169 °C(Press: 15 Torr)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.5
• 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：

  2,3-二氢-1H-异吲哚-2-乙醇 在 氯化亚砜 、 氯仿 作用下， 生成 2-(2-chloroethyl)isoindoline hydrochloride
  参考文献：
  名称：

  合成含有异吲哚环系统的化合物。

  摘要：

  DOI：

  10.1002/jps.2600510516
• 作为产物：
  描述：

  1,2-二(溴甲基)苯 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醚 、 乙腈 为溶剂， 反应 16.0h， 生成 2,3-二氢-1H-异吲哚-2-乙醇
  参考文献：
  名称：

  New formation of 4,5,6,7-tetrahydroisoindoles

  摘要：

  The high-yield syntheses of 4,5,6,7-tetrahydro-isoindoles from N-substituted isoindolines under palladium catalyzed hydrogenation conditions are reported. Mechanistic study with deuterated and saturated substrates show extensive H/D exchange and the essence of aromaticity in this transformation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.118

文献信息

• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281399A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of diseases or disorders that are susceptible to administration of a BET inhibitor.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。
• Calcium antagonist N-hetero ester 1,4-dihydropyridines
  申请人：Nelson Research & Development Co.

  公开号：US04652573A1

  公开（公告）日：1987-03-24

  Compounds having calcium channel antagonist activity of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each independently amino, trifluoromethyl, pentafluoroethyl, alkoxy, lower alkenyl, or lower alkynyl or branched or unbranched lower alkyl, which is unsubstituted or is substituted with cyano, hydroxy, acyloxy, hydrazino, lower alkyl amino, or di(lower alkyl)-amino or 5 or 6 membered saturated nitrogen-containing heterocyclic-1-yl, which is unsubstituted or is substituted with oxo, hydroxy, alkyl, and hydroxy (lower alkyl) R.sub.3 is straight- or branched-chain C.sub.1 to C.sub.12 alkyl, alkenyl, alkynyl, or cycloalkyl, and is either unsubstituted or substituted with hydroxy, acyloxy, cyano, di(lower alkyl) amino 5- or 6-membered saturated nitrogen-containing heterocyclic-1-yl or R.sub.3 is --A-R.sub.4, A is a straight- or branched-chain hydrocarbon moiety containing from 2 to 12 carbon atoms and from 0 to 2 double bonds, R.sub.4 is selected from the group consisting of: ##STR2## R.sub.5 is hydrogen, nitro, cyano, azido, amino, trifluoromethyl, alkylamino, dialkylamino, halo, carboxyl, carbalkoxy, alkyl, alkenyl, alkynyl, cycloalkyl, acylamino, carboxamido, sulfonamide, and SO.sub.m -(lower)alkyl where m is 0, 1, or 2 and R.sub.6 is aryl or heteroaryl or a pharmaceutically-acceptable salt thereof are disclosed. Also disclosed is a method of treating hypertension and other disorders by administering an effective amount of a compound of the present invention.

  具有钙通道拮抗活性的化合物的结构式：##STR1##其中R.sub.1和R.sub.2分别独立地是氨基，三氟甲基，五氟乙基，烷氧基，较低烯基，或较低炔基，或者是支链或非支链较低烷基，未取代或取代有氰基，羟基，酰氧基，叠氮基，较低烷基氨基，或二(较低烷基)-氨基，或未取代或取代有氧代基，羟基，烷基和羟基(较低烷基)的5或6元饱和氮杂环基-1-基，R.sub.3是直链或支链C.sub.1至C.sub.12烷基，烯基，炔基或环烷基，未取代或取代有羟基，酰氧基，氰基，二(较低烷基)氨基，5-或6-元饱和氮杂环基-1-基，或R.sub.3是--A-R.sub.4，A是含有2至12个碳原子和0至2个双键的直链或支链碳氢基团，R.sub.4选自以下群体之一：##STR2##R.sub.5是氢，硝基，氰基，偶氮基，氨基，三氟甲基，烷基氨基，二烷基氨基，卤素，羧基，羧酰氧基，烷基，烯基，炔基，环烷基，酰氨基，羧胺基，磺酰胺基，和SO.sub.m -(较低)烷基，其中m为0，1或2，R.sub.6是芳基或杂环芳基，或其药用可接受盐。还公开了通过给予本发明的化合物的有效量来治疗高血压和其他疾病的方法。
• 1,4-dihydropyridines
  申请人：Nelson Research & Development Co.

  公开号：US04833150A1

  公开（公告）日：1989-05-23

  Compounds having calcium channel antagonist activity of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each independently amino, trifluoromethyl, pentafluoroethyl, alkoxy, lower alkenyl, or lower alkynyl or branched or unbranched lower alkyl, which is unsubstituted or is substituted with cyano, hydroxy, acyloxy, hydrazino, lower alkyl amino, or di(lower alkyl)-amino or 5 or 6 membered saturated nitrogen-containing heterocyclic-1-yl, which is unsubstituted or is substituted with oxo, hydroxy, alkyl, and hydroxy (lower alkyl) R.sub.3 is straight- or branched-chain C.sub.1 to C.sub.12 alkyl, alkenyl, alkynyl, or cycloalkyl, and is either unsubstituted or substituted with hydroxy, acyloxy, cyano, di(lower alkyl) amino 5- or 6-membered saturated nitrogen-containing heterocyclic -1-yl or R.sub.3 is --A--R.sub.4, A is a straight- or branched-chain hydrocarbon moiety containing from 2 to 12 carbon atoms and from 0 to 2 double bonds, R.sub.4 is selected from the group consisting of: ##STR2## R.sub.5 is hydrogen, nitro, cyano, azido, amino, trifluoromethyl, alkylamino, dialkylamino, halo, carboxyl, carbalkoxy, alkyl, alkenyl, alkynyl, cycloalkyl, acylamino, carboxamido, sulfonamido, and SO.sub.m -(lower)alkyl where m is 0, 1, or 2 and R.sub.6 is aryl or heteroaryl or a pharmaceutically-acceptable salt thereof are disclosed. Also disclosed is a method of treating hypertension and other disorders by administering an effective amount of a compound of the present invention.

  具有钙通道拮抗活性的化合物的化学式为：##STR1## 其中R.sub.1和R.sub.2各自独立地是氨基、三氟甲基、五氟乙基、烷氧基、低碳烯基、或低碳炔基或支链或非支链的低碳烷基，该低碳烷基未被取代或被氰基、羟基、酰氧基、肼基、低碳烷基氨基或二(低碳基)-氨基或5或6成员饱和含氮杂环-1-基取代，该杂环未被取代或被氧代基、羟基、烷基和羟基(低碳烷基)取代；R.sub.3是直链或支链的C.sub.1到C.sub.12烷基、烯基、炔基或环烷基，且未被取代或被羟基、酰氧基、氰基、二(低碳基)氨基、5或6成员饱和含氮杂环-1-基取代，或R.sub.3是--A--R.sub.4，其中A是含有2到12个碳原子和0到2个双键的直链或支链碳氢基团，R.sub.4选自以下群体：##STR2## R.sub.5是氢、硝基、氰基、叠氮基、氨基、三氟甲基、烷基氨基、二烷基氨基、卤素、羧基、羧酸烷酯、烷基、烯基、炔基、环烷基、酰胺基、羧酰氨基、磺酰胺基和SO.sub.m-(低)烷基，其中m为0、1或2，R.sub.6是芳基或杂芳基或其药学上可接受的盐。本发明还公开了通过给予本发明化合物的有效量来治疗高血压和其他疾病的方法。
• NOVEL ANTI-INFLAMMATORY AGENTS
  申请人：Hansen Henrik C.

  公开号：US20120040954A1

  公开（公告）日：2012-02-16

  Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

  本发明涉及一种新型化合物，该化合物可用于调节白细胞介素-6（IL-6）和/或血管细胞黏附分子-1（VCAM-1）的表达，并且可用于治疗和/或预防心血管和炎症性疾病及相关疾病状态，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化症、牛皮癣和炎症性肠病以及自身免疫疾病。此外，本发明还涉及包含该新型化合物的组合物，以及其制备方法。
• Programmable Amine Synthesis via Iterative Boron Homologation
  作者：Qiqiang Xie、Rui Zhang、Guangbin Dong

  DOI：10.1002/anie.202307118

  日期：2023.8.28

  Programmable amine synthesis is realized through sequential insertion of nitrogen and carbon atoms into boronate C−B bonds. This strategy is enabled by a new nitrenoid reagent, which allows for direct formation of aminoboranes from aryl or alkyl boronates via N-insertion.

  可编程胺合成是通过将氮和碳原子顺序插入硼酸CB键来实现的。这一策略是通过一种新的氮烯类试剂实现的，该试剂允许通过N-插入从芳基或烷基硼酸酯直接形成氨基硼烷。