(2-吡啶-3-苯基)甲醇 | 857284-03-8

• 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: (2-吡啶-3-苯基)甲醇
• 英文名称: 2-(3-pyridyl)benzyl alcohol
• 英文别名: (2-(pyridin-3-yl)phenyl)methanol；(2-Pyrid-3-ylphenyl)methanol；(2-pyridin-3-ylphenyl)methanol
• CAS: 857284-03-8
• 化学式: C₁₂H₁₁NO
• mdl: MFCD08060473
• 分子量: 185.225
• InChiKey: QREMDJYNQPJMFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  (2-吡啶-3-苯基)甲醇 在 platinum(IV) oxide 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以27%的产率得到(2-哌啶-3-基苯基)甲醇
  参考文献：
  名称：

  Designing Active Template Molecules by Combining Computational De Novo Design and Human Chemist's Expertise

  摘要：

  We used a new software tool for de novo design, the "Molecule Evoluator", to generate a number of small molecules. Explicit constraints were a relatively low molecular weight and otherwise limited functionality, for example, low numbers of hydrogen bond donors and acceptors, one or two aromatic rings, and a small number of rotatable bonds. In this way, we obtained a collection of scaffold- or templatelike molecules rather than fully "decorated" ones. We asked medicinal chemists to evaluate the suggested molecules for ease of synthesis and overall appeal, allowing them to make structural changes to the molecules for these reasons. On the basis of their recommendations, we synthesized eight molecules with an unprecedented (not patented) yet simple structure, which were subsequently tested in a screen of 83 drug targets, mostly G protein-coupled receptors. Four compounds showed affinity for biogenic amine targets (receptor, ion channel, and transport protein), reflecting the training of the medicinal chemists involved. Apparently the generation of leadlike solutions helped the medicinal chemists to select good starting points for future lead optimization, away from existing compound libraries.

  DOI：

  10.1021/jm061356+
• 作为产物：
  描述：

  2-吡啶-3-基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以94%的产率得到(2-吡啶-3-苯基)甲醇
  参考文献：
  名称：

  [EN] AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE
  [FR] ANALOGUES D'AMINO-TÉTRAZOLES ET MÉTHODES D'UTILISATION

  摘要：

  公开了具有化学式（I）或化学式（II）的化合物作为P2X7拮抗剂，其中A、B、C、Y、Y、Z、m、v、R1、R2、R3、R4和R5如描述中所定义。还公开了用于治疗受P2X7调节的疾病或症状的方法和组合物。

  公开号：

  WO2005111003A1

文献信息

• Intramolecular Acylation of Unactivated Pyridines or Arenes via Multiple C–H Functionalizations: Synthesis of All Four Azafluorenones and Fluorenones
  作者：Joydev K. Laha、Krupal P. Jethava、Sagarkumar Patel、Ketul V. Patel

  DOI：10.1021/acs.joc.6b02065

  日期：2017.1.6

  unactivated pyridines via multiple C(sp3/sp2)–H functionalizations of a methyl, hydroxymethyl, or aldehyde group has been developed providing a general access to all four azafluorenones. The application of this protocol is further demonstrated to the synthesis of azafluorenone related fused nitrogen heterocycles and fluorenones. In addition, design and synthesis of a novel fluorene based organic emitter for

  通过甲基，羟甲基或醛基团的多个C（sp 3 / sp 2）–H官能化作用，未活化的吡啶进行了前所未有的分子内酰化反应，从而提供了对所有四个氮杂氟烯酮的通用途径。该方案的应用进一步证明了与氮杂芴酮相关的稠合氮杂环和芴酮的合成。另外，还报道了潜在用于有机发光器件（OLED）的新型芴基有机发射体的设计和合成。
• Synthesis of Substituted Biarylmethanol via Ferrocenyloxime Palladacycles Catalyzed Suzuki Reaction of Chlorophenylmethanol in Water
  作者：Hong-Mei Li、Ai-Qing Feng、Xin-Hua Lou

  DOI：10.5012/bkcs.2014.35.8.2551

  日期：2014.8.20

  4-(hydroxymethyl)phenylboronic acid for the synthesis of substituted biarylmethanols in water. However, substrates are limited to the aryl bromides and activated aryl chlorides. To date, there is no report that investigates the Suzuki reaction of chlorophenylmethanol in water. As a continuation of our interest in the synthesis of biarylmethanols, we have prepared a new phosphine adduct of palladacycle 2 from the

  醇作为用于制备许多药物产品和精细化学品的廉价且容易获得的有机材料非常重要。此外，在 CC (N) 键形成反应中，醇作为亲电子试剂而不是卤代烷特别有吸引力，因为该过程仅产生水作为副产物。尽管存在许多合成路线，但涉及联芳基甲醇的报道有限。钯催化的 Suzuki 反应是构建联芳基化合物的一种极其有效的方法。在各种 Pd 催化剂中，钯环是偶联反应最活跃的催化剂之一。从经济和环境的角度来看，在该反应中使用容易获得的芳基氯化物和使用水作为溶剂具有许多优点。然而，有一些报道表明，钯环催化了有限的芳基氯化物在水中的 Suzuki 反应。据我们所知，关于有机溶剂中 4-氯苯基甲醇的 Suzuki 仅报道了两个报道。最近，我们开发了一种阳离子环钯化二茂铁基嘧啶催化芳基卤化物和 4-(羟甲基)苯基硼酸的 Suzuki 反应，用于在水中合成取代的联芳基甲醇。然而，底物仅限于芳基溴化物和活化的芳基氯化物。迄今为止，
• Amino-tetrazole analogues and methods of use
  申请人：Carroll A. William

  公开号：US20060052374A1

  公开（公告）日：2006-03-09

  A compound having Formula (I) or Formula (II) is disclosed as an P2X 7 antagonist, wherein A, B, C, Y, Y, Z, m, v, R 1 , R 2 , R 3 , R 4 , and R 5 , are as defined in the description. Methods and compositions for treating disease or condition modulated by P2X 7 are also disclosed.

  本文披露一种化合物，其化学式为（I）或（II），作为P2X7拮抗剂，其中A、B、C、Y、Y、Z、m、v、R1、R2、R3、R4和R5如描述中所定义。同时，本文还披露了治疗P2X7调节的疾病或病症的方法和组合物。
• Amino-Tetrazoles Analogues and Methods of Use
  申请人：Carroll William A.

  公开号：US20080171733A1

  公开（公告）日：2008-07-17

  A compound having Formula (I) or Formula (II) is disclosed as an P2X 7 antagonist, wherein A, B, C, Y, Y, Z, m, v, R 1 , R 2 , R 3 , R 4 , and R 5 , are as defined in the description. Methods and compositions for treating disease or condition modulated by P2X 7 are also disclosed.

  本发明揭示了一种具有公式（I）或公式（II）的化合物，作为P2X7拮抗剂，其中A，B，C，Y，Y，Z，m，v，R1，R2，R3，R4和R5如描述中所定义。还揭示了用于治疗受P2X7调节的疾病或病况的方法和组合物。
• Amino-tetrazoles analogues and methods of use
  申请人：Carroll A. William

  公开号：US20070049584A1

  公开（公告）日：2007-03-01

  A compound having Formula (I) or Formula (II) is disclosed as an P2X 7 antagonist, wherein A, B, C, Y, Y, Z, m, v, R 1 , R 2 , R 3 , R 4 , and R 5 , are as defined in the description. Methods and compositions for treating disease or condition modulated by P2X 7 are also disclosed.

  公开了一种化合物，其化学式为（I）或化学式（II），作为P2X7拮抗剂，其中A，B，C，Y，Y，Z，m，v，R1，R2，R3，R4和R5如说明中所定义。还公开了治疗受P2X7调节的疾病或病状的方法和组合物。