3-(3,5-二氟苯基)-1-丙醇 | 105219-37-2

• 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-(3,5-二氟苯基)-1-丙醇
• 中文别名: 3,5-二氟苯丙醇
• 英文名称: 3-(3,5-difluorophenyl)propan-1-ol
• 英文别名: 3-(3,5-difluorophenyl)propanol
• CAS: 105219-37-2
• 化学式: C₉H₁₀F₂O
• 分子量: 172.175
• InChiKey: ZGNBOGNLNGJULC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  3-(3,5-二氟苯基)-1-丙醇 在 Oxone 、 bis(1,5-cyclooctadiene)nickel (0) 、 乙二胺四乙酸 、 四溴化碳 、 1,1,1-三氟丙酮 、 碘 、 碳酸氢钠 、 (S,S)-2,6-双(4-异丙基-2-恶唑啉-2-基)吡啶 、 三苯基膦 、 锌 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 、 水 、 乙腈 为溶剂， 反应 28.0h， 生成 (1aR,1bS,6S,6aS)-6-{4-(3,5-difluorophenyl)butyl}tetrahydrooxireno[2',3':3,4]pyrrolo[1,2-c]oxazol-4(1aH)-one
  参考文献：
  名称：

  Synthesis and biological evaluation of α-1-C-4′-arylbutyl-l-arabinoiminofuranoses, a new class of α-glucosidase inhibitors

  摘要：

  A series of alpha-1-C-4'-arylbutyl-L-arabinoiminofuranoses 3 with functional groups attached to the phenyl ring, which are potential alpha-glycosidase inhibitors, was designed and synthesized by using a Negishi cross-coupling reaction as the key reaction. Arylbutyl derivatives 3a-e showed potent inhibitory activities against intestinal maltase. Among them, difluorophenylbutyl derivative 3e showed good inhibition activities against intestinal isomaltase and sucrase as compared to those of 1 and commercial drugs. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.06.001
• 作为产物：
  描述：

  3,5-DIFLUOROPHENYLMAGNESIUM BROMIDE 在 9-borabicyclo[3.3.1]nonane dimer 作用下， 生成 3-(3,5-二氟苯基)-1-丙醇
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102

文献信息

• 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0323737A1

  公开（公告）日：1989-07-12

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are described in which, n is 0 to 5; X¹ to X⁵ are any accessible combination of hydrogen, halogen, C₁₋₆alkyl, C₁₋₆alkoxy, cyano, nitro, SONH₂, SO₂NH₂, SO₂CH₃, SO₂CH₂F, SO₂CHF₂, SO₂CF₃, CF₃, CHO, OH, CH₂OH, CO₂H, or CO₂CpH2p+1 wherein p is 1 to 4; R¹ is phenyl substituted by X¹ to X⁵, C₁₋₄alkyl, C₃₋₆cycloalkyl, or an arylC₁₋₄alkyl group substituted by X¹ to X⁵; R² is hydrogen, C₁₋₄alkyl or (CH₂)m-CO₂R³; m is 0 to 5; and R³ is H or C₁₋₄alkyl. These compounds are dopamine-β-hydroxylase inhibitors. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of these compounds are described.

  描述了式（I）的化合物及其药学上可接受的盐，其中，n为0至5；X¹至X⁵为氢、卤素、C₁₋₆烷基、C₁₋₆烷氧基、氰基、硝基、SONH₂、SO₂NH₂、SO₂CH₃、SO₂CH₂F、SO₂CHF₂、SO₂CF₃、CF₃、CHO、OH、CH₂OH、CO₂H或CO₂CpH2p+1的任意可访问组合，其中p为1至4；R¹为被X¹至X⁵取代的苯基、C₁₋₄烷基、C₃₋₆环烷基或被X¹至X⁵取代的芳基C₁₋₄烷基基团；R²为氢、C₁₋₄烷基或（CH₂）m-CO₂R³；m为0至5；R³为H或C₁₋₄烷基。这些化合物是多巴胺-β-羟基化酶抑制剂。描述了药物组合物以及使用方法。描述了这些化合物的制备过程。
• Dopamine-.beta.-hydroxylase inhibitors and use thereof
  申请人：Smithkline Beckman Corporation

  公开号：US04707488A1

  公开（公告）日：1987-11-17

  The compounds of this invention are 1-phenylalkyl-2-mercaptotetrazole compounds which are dopamine-.beta.-hydroxylase inhibitors.

  这项发明的化合物是1-苯基烷基-2-巯基四唑化合物，它们是多巴胺-β-羟化酶抑制剂。
• Dopamine-beta-hydroxylase inhibitors
  申请人：SmithKline Beckman Corporation

  公开号：US04810811A1

  公开（公告）日：1989-03-07

  The compounds of this invention are 1-phenylalkyl-2-mercaptotetrazole compounds which are dopamine-.beta.-hydroxylase inhibitors.

  本发明的化合物是1-苯基烷基-2-巯基四唑化合物，是多巴胺-β-羟化酶抑制剂。
• Isophthalates as beta-secretase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US07981913B2

  公开（公告）日：2011-07-19

  There is provided a series of substituted isophthalates of formula (I) or a stereoisomer thereof; or a pharmaceutically acceptable salt thereof, wherein W, R3, R5 and R6 as defined herein, their pharmaceutical compositions and methods of use. These novel compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  提供了一系列的取代异苯二甲酸酯化合物，其化学式为（I）或其立体异构体；或其药学上可接受的盐，其中W、R3、R5和R6如本文所定义，以及它们的药物组合物和使用方法。这些新化合物抑制β-分泌酶对淀粉样前体蛋白(APP)的加工作用，并更具体地抑制Aβ肽的产生。本公开涉及的化合物可用于治疗与β-淀粉样蛋白产生有关的神经疾病，如阿尔茨海默病和其他受抗淀粉样蛋白活性影响的疾病。
• NOVEL ISOPHTHALATES AS BETA-SECRETASE INHIBITORS
  申请人：Thompson, III Lorin A.

  公开号：US20100222581A1

  公开（公告）日：2010-09-02

  There is provided a series of substituted isophthalates of formula (I) or a stereoisomer thereof; or a pharmaceutically acceptable salt thereof, wherein W, R 3 , R 5 and R 6 as defined herein, their pharmaceutical compositions and methods of use. These novel compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  提供一系列式(I)的取代异苯二甲酸酯或其立体异构体；或其药学上可接受的盐，其中W、R3、R5和R6如本文所定义，以及它们的药物组合物和使用方法。这些新化合物抑制β-分泌酶对淀粉样前体蛋白(APP)的加工，更具体地，抑制Aβ肽的产生。本公开涉及用于治疗与β-淀粉样蛋白产生相关的神经疾病，如阿尔茨海默病和其他受抗淀粉样蛋白活性影响的病症的化合物。