3-(3,5-二氟苯基)丙醇 | 405937-98-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 中文名称: 3-(3,5-二氟苯基)丙醇
• 英文名称: (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
• 英文别名: trans-3,5-difluorocinnamyl alcohol；(2E)-3-(3,5-difluorophenyl)prop-2-en-1-ol；(trans)-3-(3,5-Difluorophenyl)-prop-2-en-1-ol；3-(3,5-Difluorophenyl)propenol
• CAS: 405937-98-6
• 化学式: C₉H₈F₂O
• 分子量: 170.159
• InChiKey: LTGHGWDPLZTILW-OWOJBTEDSA-N

物化性质

• 沸点：
  251.4±30.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3,5-二氟苯基)丙醇 在 manganese(IV) oxide 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 3-{benzyl-[(E)-3-(3,5-difluoro-phenyl)-allyl]-amino}-propionitrile
  参考文献：
  名称：

  WO2007/140980

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(3,5-difluoro-phenyl)-acrylic acid methyl ester 在 二异丁基氢化铝 、 盐酸 作用下， 以 甲苯 、 水 为溶剂， 反应 1.0h， 生成 3-(3,5-二氟苯基)丙醇
  参考文献：
  名称：

  WO2008/24492

  摘要：

  公开号：

文献信息

• Regioselective Single-Electron Tsuji–Trost Reaction of Allylic Alcohols: A Photoredox/Nickel Dual Catalytic Approach
  作者：Zheng-Jun Wang、Shuai Zheng、Eugénie Romero、Jennifer K. Matsui、Gary A. Molander

  DOI：10.1021/acs.orglett.9b02473

  日期：2019.8.16

  A radical-mediated functionalization of allyl alcohol derived partners with a variety of alkyl 1,4-dihydropyridines via photoredox/nickel dual catalysis is described. This transformation transpires with high linear and E-selectivity, avoiding the requirement of harsh conditions (e.g., strong base, elevated temperature). Additionally, using aryl sulfinate salts as radical precursors, allyl sulfones

  描述了自由基介导的烯丙基醇衍生的配偶体通过光氧化还原/镍双重催化与各种烷基1,4-二氢吡啶的官能化作用。这种转变表现出高线性和E选择性，避免了苛刻条件（例如强碱，高温）的要求。另外，使用芳基亚磺酸盐作为自由基前体，也可以获得烯丙基砜。动力学同位素效应实验表明，将镍催化剂氧化添加到烯丙基亲电子试剂中作为营业额限制步骤，为先前的计算研究提供了支持。
• Quinoline derivatives as antibacterials
  申请人：——

  公开号：US20040053928A1

  公开（公告）日：2004-03-18

  Aminopiperidine derivatives and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man.

  氨氧哌啶衍生物及其药用可接受的衍生物，用于治疗哺乳动物，特别是人类的细菌感染。
• Phenylaminopropanol derivatives and methods of their use
  申请人：Kim Younghee Callain

  公开号：US20050222148A1

  公开（公告）日：2005-10-06

  The present invention is directed to phenylaminopropanol derivatives of formula I: or a pharmaceutically acceptable salt thereof, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及式I的苯胺丙醇衍生物： 或其药学上可接受的盐，含有这些衍生物的组合物，以及它们用于通过单胺再摄取改善的症状的预防和治疗方法，包括但不限于血管运动症状（VMS）、性功能障碍、胃肠道和泌尿系统疾病、慢性疲劳综合征、纤维肌痛综合征、神经系统疾病，以及其中的组合，特别是从包括重性抑郁障碍、血管运动症状、压力性和切勿性尿失禁、纤维肌痛、疼痛、糖尿病性神经病变以及其中的组合的一组中选择的那些症状。
• [EN] 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS)<br/>[FR] DERIVES DE 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZINE-1-YL)-1-PHENYLE PROPAN-2-OL ET COMPOSES ASSOCIES UTILISES EN TANT QUE MODULATEURS DE L'ACTIVITE DE LA NOREPINEPHRINE (NE) ET DE LA SEROTONINE (5-HT) ET REABSORPTION DE LA MONOAMINE DANS LE TRAITEMENT DES SYMPTOMES VASOMOTEURS
  申请人：WYETH CORP

  公开号：WO2005097744A1

  公开（公告）日：2005-10-20

  The present invention is directed to phenylaminopropanol derivatives of formula (I): or a pharmaceutically acceptable salt thereof; wherein: the dotted line between Y and Z represents an optional double bond; the dotted line between the two R4 groups represents an optional heterocyclic ring of 4 to 6 ring atoms that may be formed between the two R4 groups, together with the nitrogen through which they are attached; Y is N, CR6, or C=O; Z is N, CR7, CR5, or C(R5)2; R2 is aryl substituted with 0-3 R1 or heteroaryl substituted with 0-3 R1; R3 is H or C1-C4 alkyl; n is an integer form 0 to 4; x is an integer from 1 to 2; and the other substituents are defined in the claims; compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected form the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及公式（I）的苯基氨丙醇衍生物或其药学上可接受的盐;其中：Y和Z之间的虚线表示可选的双键;两个R4基团之间的虚线表示可选的4至6个环原子的杂环环，可以与它们连接的氮一起形成在两个R4基团之间; Y为N，CR6或C = O; Z为N，CR7，CR5或C（R5）2; R2为芳基，用0-3个R1取代或杂芳基，用0-3个R1取代; R3为H或C1-C4烷基; n为0至4的整数; x为1至2的整数;其他取代基在权利要求中定义; 包含这些衍生物的组合物，以及它们的使用方法，用于改善单胺再摄取所缓解的病症的预防和治疗，包括但不限于血管运动症状（VMS），性功能障碍，胃肠和泌尿系统疾病，慢性疲劳综合征，纤维肌痛综合征，神经系统疾病以及其组合，特别是选择自由基组成的条件，包括重度抑郁症，血管运动症状，压力和切望性尿失禁，纤维肌痛，疼痛，糖尿病神经病变以及其组合。
• PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS
  申请人：Rogel Olivier

  公开号：US20090247577A1

  公开（公告）日：2009-10-01

  Novel 3-mono-, 3,4-di- and 3,4,4,-tri-substituted pyrrolidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (disorder) that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; pharmaceutical formulations comprising a said substituted pyrrolidine compound, and/or a method of treatment comprising administering a said substituted pyrrolidine compound. The substituted pyrrolidine compounds are especially of the formula I, wherein the substituents are as defined in the specification.

  小说3-单取代、3,4-双取代和3,4,4-三取代吡咯烷化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖于β-分泌酶活性和/或β-淀粉样蛋白生成及其后续寡聚体和纤维聚集的疾病（紊乱）；该类化合物的使用用于制备用于治疗依赖于β-分泌酶活性和/或β-淀粉样蛋白生成及其后续寡聚体和纤维聚集的疾病的药物配方；包括所述取代的吡咯烷化合物的药物配方和/或包括给予该取代的吡咯烷化合物的治疗方法。所述取代的吡咯烷化合物特别是公式I的，其中取代基如规范中所定义。