3-(3-羟基丙基)苯甲腈 | 83101-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3-羟基丙基)苯甲腈
• 英文名称: γ-(3-Cyanphenyl)propanol
• 英文别名: 3-(3-hydroxypropyl)benzonitrile；3-(3-cyanophenyl)-1-propanol；3-(3-cyanophenyl)propanol
• CAS: 83101-13-7
• 化学式: C₁₀H₁₁NO
• mdl: MFCD18445499
• 分子量: 161.203
• InChiKey: UTSJPOCSHJYKBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-羟基丙基)苯甲腈 在 C₂H₂ONa 、 三溴化磷 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 6.5h， 生成 γ-(3-Cyanphenyl)propylacetaminomalonsaeurediethylester
  参考文献：
  名称：

  Vieweg; Wagner, Pharmazie, 1982, vol. 37, # 3, p. 178 - 182

  摘要：

  DOI：
• 作为产物：
  描述：

  3-nitrocinnamaldehyde 在 镍 盐酸 、 sodium tetrahydroborate 、 氢气 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 4.0h， 生成 3-(3-羟基丙基)苯甲腈
  参考文献：
  名称：

  Vieweg; Wagner, Pharmazie, 1982, vol. 37, # 3, p. 178 - 182

  摘要：

  DOI：

文献信息

• Cobalt-catalyzed (Z)-selective semihydrogenation of alkynes with molecular hydrogen
  作者：Caiyou Chen、Yi Huang、Zongpeng Zhang、Xiu-Qin Dong、Xumu Zhang

  DOI：10.1039/c7cc01228d

  日期：——

  A cobalt-catalyzed highly (Z)-selective semihydrogenation of alkynes using molecular H2 was developed using commercially available and cheap cobalt precursors. A variety of (Z)-alkenes were obtained in moderate to excellent selectivities...

  使用可商购的廉价钴前体开发了使用分子H2的钴催化炔烃的高度（Z）选择性半氢化反应。以中等至极好的选择性获得了各种（Z）烯烃。
• Organic compounds and their pharmaceutical use
  申请人：Lilly Industries Limited

  公开号：US04845110A1

  公开（公告）日：1989-07-04

  There are provided anti-allergic pharmaceutical compounds of formula: ##STR1## in which n is 0, 1 or 2; R.sup.1 is a hydrocarbyl group containing 6 to 30 carbon atoms and optionally substituted with an optionally substituted phenyl group; R.sup.2 is (i) optionally optionally protected tetrazolyl, --COR.sup.6 where R.sup.6 is C.sub.1-4 alkyl, C.sub.1-4 alkoxy, an optionally protected amino acid residue or --NR.sub.2.sup.7 where each R.sup.7 is hydrogen or C.sub.1-4 alkyl, and --NHR.sup.8 where R.sup.8 is hydrogen, a protecting group, an optionally protected amino acid residue, C.sub.1-4 alkyl or --COR.sup.9 where R.sup.9 is C.sub.1-4 alkyl or C.sub.1-4 alkoxy, or (iii) C.sub.1-10 alkyl substituted with a group selected from ##STR2## where each R.sup.10 is hydrogen or C.sub.1-4 alkyl; and R.sup.3, R.sup.4 and R.sup.5 are each selected from hydrogen, carboxyl, C.sub.2-5 alkoxycarbonyl, C.sub.1-4 alkyl, hydroxyl, optionally protected tetrazolyl, halo, trifluoromethyl, nitrile, nitro and --CONR.sub.2.sup.11 where each R.sup.11 is hydrogen or C.sub.1-4 alkyl; and salts thereof.

  提供了化学式为：##STR1## 的抗过敏药物化合物；其中n为0、1或2；R.sup.1是含有6至30个碳原子的烃基，可选择地取代为一个可选择取代的苯基；R.sup.2是(i)可选择地保护的四唑基，--COR.sup.6，其中R.sup.6是C.sub.1-4烷基，C.sub.1-4烷氧基，一个可选择保护的氨基酸残基或--NR.sub.2.sup.7，其中每个R.sup.7是氢或C.sub.1-4烷基，和--NHR.sup.8，其中R.sup.8是氢，一个保护基，一个可选择保护的氨基酸残基，C.sub.1-4烷基或--COR.sup.9，其中R.sup.9是C.sub.1-4烷基或C.sub.1-4烷氧基；或(iii)C.sub.1-10烷基，其上取代有来自##STR2## 的群，其中每个R.sup.10是氢或C.sub.1-4烷基；R.sup.3、R.sup.4和R.sup.5各自选择自氢、羧基、C.sub.2-5烷氧羰基、C.sub.1-4烷基、羟基、可选择保护的四唑基、卤素、三氟甲基、腈基、硝基和--CONR.sub.2.sup.11，其中每个R.sup.11是氢或C.sub.1-4烷基；以及其盐。
• [EN] NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS TÉTRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE
  申请人：ALMIRALL SA

  公开号：WO2010097172A1

  公开（公告）日：2010-09-02

  New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of the phosphodiesterase IV (PDE4).

  揭示了具有化学结构式(I)的新四氢吡唑并[3,4-c]异喹啉-5-胺衍生物；以及它们的制备方法、包含它们的药物组合物和它们作为磷酸二酯酶IV（PDE4）抑制剂在治疗中的用途。
• 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol
  申请人：Gensia Pharmaceuticals, Inc.

  公开号：US05395970A1

  公开（公告）日：1995-03-07

  Methods and devices for the diagnosis, evaluation and treatment of coronary artery disease (CAD) by means of a closed-loop drug delivery system that delivers an exercise simulating agent, including novel exercise simulating agents which elicit both acute and adaptive cardiovascular responses similar to those elicited by aerobic activity are provided. The acute responses to the exercise simulating agent are used to diagnose and evaluate CAD in lieu of the acute responses to aerobic exercise. Due to their adaptive responses these compounds may be used to treat CAD in lieu of the adaptive responses caused by aerobic exercise training or to treat other conditions where the adaptive responses caused by aerobic exercise are desirable.

  提供了一种通过闭环药物输送系统诊断、评估和治疗冠状动脉疾病（CAD）的方法和设备，该系统提供一种模拟运动的药物，包括引发急性和适应性心血管反应的新型运动模拟药物，类似于有氧活动引发的反应。利用对运动模拟药物的急性反应来诊断和评估CAD，而不是对有氧运动的急性反应。由于它们的适应性反应，这些化合物可以用于治疗CAD，而不是有氧运动训练引起的适应性反应，或者用于治疗其他需要有氧运动引起的适应性反应的病症。
• Diagnosis, evaluation and treatment of coronary artery disease by
  申请人：Gensia, Inc.

  公开号：US05460605A1

  公开（公告）日：1995-10-24

  Methods and devices for the diagnosis, evaluation and treatment of coronary artery disease (CAD) by means of a closed-loop drug delivery system that delivers an exercise simulating agent, including novel exercise simulating agents which elicit both acute and adaptive cardiovascular responses similar to those elicited by aerobic activity are provided. The acute responses to the exercise simulating agent are used to diagnose and evaluate CAD in lieu of the acute responses to aerobic exercise. Due to their adaptive responses these compounds may be used to treat CAD in lieu of the adaptive responses caused by aerobic exercise training or to treat other conditions where the adaptive responses caused by aerobic exercise are desirable.

  本发明提供了用于诊断、评估和治疗冠状动脉疾病（CAD）的方法和装置，采用闭环药物输送系统提供运动模拟剂，包括引起急性和适应性心血管反应的新型运动模拟剂。运动模拟剂的急性反应用于诊断和评估CAD，代替有氧运动的急性反应。由于它们的适应性反应，这些化合物可用于治疗CAD，代替有氧运动训练引起的适应性反应，或用于治疗其他需要有氧运动适应性反应的疾病。