3-(3-氟-4-甲基苯基)丙醛 | 955403-51-7

• 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-氟-4-甲基苯基)丙醛
• 英文名称: 3-(3-fluoro-4-methylphenyl)propanal
• 英文别名: 3-(3-fluoro-4-methylphenyl)propionaldehyde；Benzenepropanal, 3-fluoro-4-methyl-
• CAS: 955403-51-7
• 化学式: C₁₀H₁₁FO
• 分子量: 166.195
• InChiKey: ORDCIMNPEHUMOL-UHFFFAOYSA-N

物化性质

• 沸点：
  222.7±25.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

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：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-氟-4-甲基苯基)丙醛 在 2,6-二甲基吡啶 、 sodium tetrahydroborate 、 N-氯代丁二酰亚胺 、 (2R,5R)-2,5-二苯基吡咯烷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  A general, enantioselective synthesis of N-alkyl terminal aziridines and C2-functionalized azetidines via organocatalysis

  摘要：

  A short, high-yielding protocol involving the enantioselective alpha-chlorination of aldehydes has been developed for the enantioselective synthesis of C2-functionalized aziridines and N-alkyl terminal azetidines from a common intermediate. This methodology allows for the rapid preparation of functionalized aziridines in 50-73% overall yields and 88-94% ee, and azetidines in 22-32% overall yields and 84-92% ee. Moreover, we developed a scalable and cost-effective route to the key organocatalyst (54% overall yield, >95% dr). (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.01.140
• 作为产物：
  描述：

  2-氟-4-碘甲苯 、 烯丙醇 在 苄基三乙基氯化铵 、 palladium diacetate 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 3-(3-氟-4-甲基苯基)丙醛
  参考文献：
  名称：

  碘代烯丙基二氟化物的镍催化还原脱氟：烯基单氟化物合成

  摘要：

  作为一种潜在的氟化合成子，由于担心其稳定性，关于氟化丙二烯合成和应用的报道有限。在这里，我们开发了一种镍催化的碘代烯丙基二氟化物的还原脱氟方法，在温和的条件下得到具有良好官能团耐受性的烯基单氟化物，这些化合物很容易转化为其他 C-F 键化合物，例如烷基和烯基氟。初步机理研究表明，单氟丙二烯是通过 β-F 消除将 C-I 键氧化加成到镍（0）催化剂上的烯基 C-Ni 中间体而产生的，而锌使催化剂再生并关闭催化循环。

  DOI：

  10.1039/d1cc06457f

文献信息

• PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20090099228A1

  公开（公告）日：2009-04-16

  The invention relates to novel pyrazolo-tetrahydropyridines compounds and their use as orexin receptor antagonists.

  这项发明涉及新型吡唑并四氢吡啶化合物及其作为促进睡眠的受体拮抗剂的用途。
• 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors
  作者：Kevin M. Peese、Christopher W. Allard、Timothy Connolly、Barry L. Johnson、Chen Li、Manoj Patel、Margaret E. Sorensen、Michael A. Walker、Nicholas A. Meanwell、Brian McAuliffe、Beatrice Minassian、Mark Krystal、Dawn D. Parker、Hal A. Lewis、Kevin Kish、Ping Zhang、Robert T. Nolte、Jean Simmermacher、Susan Jenkins、Christopher Cianci、B. Narasimhulu Naidu

  DOI：10.1021/acs.jmedchem.8b01473

  日期：2019.2.14

  A series of 5,6,7,8-tetrahydro-1,6-naphthyridine derivatives targeting the allosteric lens-epithelium-derived-growth-factor-p75 (LEDGF/p75)-binding site on HIV-1 integrase, an attractive target for antiviral chemotherapy, was prepared and screened for activity against HIV-1 infection in cell culture. Small molecules that bind within the LEDGF/p75-binding site promote aberrant multimerization of the

  针对HIV-1整合酶（一个有吸引力的靶标）上的变构晶状体-上皮细胞生长因子-p75（LEDGF / p75）-结合位点的一系列5,6,7,8-四氢-1,6-萘啶衍生物制备用于抗病毒化疗的药物，并筛选其在细胞培养物中对抗HIV-1感染的活性。结合在LEDGF / p75结合位点内的小分子可促进整合酶的异常多聚化，作为HIV-1复制抑制剂具有重要意义。介绍了铅化合物的结构-活性-关系研究和大鼠药代动力学研究。
• 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES
  申请人：Aissaoui Hamed

  公开号：US20100093740A1

  公开（公告）日：2010-04-15

  The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I), wherein X represents CH 2 or O; R 1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C 1-4 )alkyl, (C 1-4 )alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R 2 represents (C 1-4 )alkyl, (C 1-4 )alkoxy, (C 2-4 )alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR 5 R 6 or cyclopropyl; R 3 represents (C 1-4 )alkyl, (C 1-4 )alkoxy-methyl or halogen; R 4 represents (C 1-4 )alkyl; R 5 represents hydrogen or (C 1-4 )alkyl; and R 6 represents hydrogen or (C 1-4 )alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.

  本发明涉及公式（I）的5,6,7,8-四氢咪唑[1,5-a]吡嗪衍生物，其中X代表CH2或O; R1代表苯基，该基团独立地单取代、双取代或三取代，其中取代基独立地选自由（C1-4）烷基，（C1-4）烷氧基，卤素，氰基，三氟甲氧基和三氟甲基的群组; R2代表（C1-4）烷基，（C1-4）烷氧基，（C2-4）烯基，卤素，氰基，羟甲基，三氟甲基，C（O）NR5R6或环丙基; R3代表（C1-4）烷基，（C1-4）烷氧甲基或卤素; R4代表（C1-4）烷基; R5代表氢或（C1-4）烷基; R6代表氢或（C1-4）烷基。本发明还涉及这种化合物的药学上可接受的盐;以及将这种化合物用作药物的用途;特别是作为促进睡眠激素受体拮抗剂。
• 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US08188082B2

  公开（公告）日：2012-05-29

  The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I), wherein X represents CH2 or O; R1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C1-4)alkyl, (C1-4)alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R2 represents (C1-4)alkyl, (C1-4)alkoxy, (C2-4)alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR5R6 or cyclopropyl; R3 represents (C1-4)alkyl, (C1-4)alkoxy-methyl or halogen; R4 represents (C1-4)alkyl; R5 represents hydrogen or (C1-4)alkyl; and R6 represents hydrogen or (C1-4)alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.

  本发明涉及一种式为(I)的5,6,7,8-四氢咪唑[1,5-a]吡嗪衍生物，其中X代表CH2或O；R1代表苯基，该基团独立地单取代、双取代或三取代，其中取代基独立地选自(C1-4)烷基，(C1-4)烷氧基，卤素，氰基，三氟甲氧基和三氟甲基的群；R2代表(C1-4)烷基，(C1-4)烷氧基，(C2-4)烯基，卤素，氰基，羟甲基，三氟甲基，C(O)NR5R6或环丙基；R3代表(C1-4)烷基，(C1-4)烷氧甲基或卤素；R4代表(C1-4)烷基；R5代表氢或(C1-4)烷基；R6代表氢或(C1-4)烷基。本发明还涉及该类化合物的药学上可接受的盐；以及将该类化合物用作药物，特别是促进睡眠的药物。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。