2-phenylbutane-1,3-diol | 62559-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-phenylbutane-1,3-diol
• 英文别名: 2-Phenylbutan-1,3-diol
• CAS: 62559-36-8
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: DCNMHZIUXXXJIC-UHFFFAOYSA-N

物化性质

• 沸点：
  105-110 °C(Press: 0.1 Torr)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-phenylbutane-1,3-diol 在 2,6-二甲基吡啶 、 二正丁基氧化锡 、 三乙胺 、 sodium iodide 作用下， 生成 tert-Butyl-((1S,2S)-3-iodo-1-methyl-2-phenyl-propoxy)-dimethyl-silane
  参考文献：
  名称：

  Acceleration of hetero-Michael reaction by symmetrical pentacyclic guanidines

  摘要：

  Symmetrical pentacyclic guanidines 1a-c and 2 which contain the core skeleton of 13,14,15-isocrmbescidine 800, have been synthesized. In the presence of catalytic amounts of these guanidines 1, the reaction rate of the conjugate addition of pyrrolidine (9) to gamma -crotonolactone (10) could be enhanced depending upon the size of the cavities and substituents on tetrahydropyran rings of 1 and 2. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00907-3
• 作为产物：
  描述：

  (3-甲基噁丙环-2-基)甲醇 、 苯基锂 在 二甲基硫 、 copper(I) bromide 、 sodium periodate 作用下， 生成 2-phenylbutane-1,3-diol
  参考文献：
  名称：

  Acceleration of hetero-Michael reaction by symmetrical pentacyclic guanidines

  摘要：

  Symmetrical pentacyclic guanidines 1a-c and 2 which contain the core skeleton of 13,14,15-isocrmbescidine 800, have been synthesized. In the presence of catalytic amounts of these guanidines 1, the reaction rate of the conjugate addition of pyrrolidine (9) to gamma -crotonolactone (10) could be enhanced depending upon the size of the cavities and substituents on tetrahydropyran rings of 1 and 2. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00907-3

文献信息

• Stereoselective Radical Aryl Migration from Silicon to Carbon
  作者：Stephan Amrein、Martin Bossart、Tomaso Vasella、Armido Studer

  DOI：10.1021/jo000041d

  日期：2000.7.1

  diastereoselective radical 1,5 phenyl migration reactions from silicon in diarylsilyl ethers to various C-centered radicals to form the corresponding 3-phenylated alcohols are described. Functionalized aryl groups can also be transferred. The effect of the variation of the attacking radical on the aryl transfer reaction is discussed. Best results are obtained for the phenyl migration to nucleophilic secondary

  描述了从二芳基甲硅烷基醚中的硅到各种以C为中心的自由基的高度非对映选择性自由基1，5-苯基迁移反应，以形成相应的3-苯基化醇。官能化的芳基也可以被转移。讨论了攻击基的变化对芳基转移反应的影响。对于苯基向亲核仲烷基的迁移，可获得最佳结果，其中获得了高收率（最高81％）和高选择性（最高95％ds）。讨论了该过程的机理，并提出了解释反应的立体化学结果的模型。最后，提出了一种从Si到C的立体选择性1,4芳基迁移反应，包括一种新的酯α-芳基化方法。
• [EN] DUAL-ACTION INHIBITORS AND METHODS OF USING SAME<br/>[FR] INHIBITEURS À DOUBLE ACTION ET LEURS PROCÉDÉS D'UTILISATION
  申请人：AERIE PHARMACEUTICALS INC

  公开号：WO2010127329A1

  公开（公告）日：2010-11-04

  Provided are compounds, compositions, and methods for treating diseases and conditions wherein an inhibitor of a kinase, such as rho kinase (ROCK), and an inhibitor of one or more of the monoamine transporters, such as NET or SERT, act in concert to improve the condition.

  提供了治疗疾病和症状的化合物、组合物和方法，其中一种激酶抑制剂（如rho激酶（ROCK））和一种或多种单胺转运体抑制剂（如NET或SERT）共同作用以改善病情。
• DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20130158015A1

  公开（公告）日：2013-06-20

  Provided are compounds that are inhibitors of both rho kinase and of a monoamine transporter (MAT) act to improve the disease state or condition. Further provided are compositions comprising the compounds. Further provided are methods for treating diseases or conditions, the methods comprising administering compounds according to the invention. One such disease may be glaucoma for which, among other beneficial effects, a marked reduction in intraocular pressure (IOP) may be achieved.

  提供了一些既能抑制rho激酶又能抑制单胺转运体（MAT）的化合物，这些化合物用于改善疾病状态或病情。此外，还提供了包含这些化合物的组合物。进一步提供了根据本发明给药的治疗疾病或病情的方法。其中一种疾病可能是青光眼，除了其他有益的效果外，还可以实现显著降低眼内压（IOP）的效果。
• Dual mechanism inhibitors for the treatment of disease
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US10316029B2

  公开（公告）日：2019-06-11

  Provided are compounds that are inhibitors of both rho kinase and of a monoamine transporter (MAT) act to improve the disease state or condition. Further provided are compositions comprising the compounds. Further provided are methods for treating diseases or conditions, the methods comprising administering compounds according to the invention. One such disease may be glaucoma for which, among other beneficial effects, a marked reduction in intraocular pressure (IOP) may be achieved.

  提供了同时抑制rho激酶和单胺转运体（MAT）的化合物，用于改善疾病状态或病情。此外还提供了包含这些化合物的组合物。进一步提供了使用该发明的化合物治疗疾病或病情的方法。其中一种疾病可能是青光眼，除了其他有益的效果外，还可以显著降低眼内压（IOP）。
• DUAL-ACTION INHBITORS AND METHODS OF USING SAME
  申请人：deLong Mitchell A.

  公开号：US20120135984A1

  公开（公告）日：2012-05-31

  Provided are compounds, compositions, and methods for treating diseases and conditions wherein an inhibitor of a kinase, such as rho kinase (ROCK), and an inhibitor of one or more of the monoamine transporters, such as NET or SERT, act in concert to improve the condition.

  提供了化合物、组合物和方法，用于治疗疾病和情况，其中激酶抑制剂，如rho激酶（ROCK），和一种或多种单胺转运体抑制剂，如NET或SERT，共同作用以改善病情。