8-phenyl-2-octanone | 328534-02-7

• 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: 8-phenyl-2-octanone
• 英文别名: 8-phenyloctan-2-one；phenyloctanone
• CAS: 328534-02-7
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: LSDCSRVRGXXTPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±21.0 °C(Predicted)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  8-phenyl-2-octanone 在 盐酸 、 锌 作用下， 以 水 为溶剂， 反应 6.0h， 以56%的产率得到1-苯基辛烷
  参考文献：
  名称：

  亲脂性，保护基和立体化学对碳水化合物衍生的硫氰酸盐抗疟活性的影响

  摘要：

  为了研究烷基取代基对目标分子糖成分上保护基团和立体化学的影响，还成功合成了一系列新型的碳水化合物衍生的硫代色团，以研究烷基取代基对硫酚部分芳香环的影响。硫代吡喃对恶性疟原虫对氯喹敏感的（3D7）菌株的抗疟活性的评估结果表明，短链烷基取代基，苄基醚保护基的存在和糖上C-4取代基的赤道取向部分是赋予高抗疟活性的关键结构特征。

  DOI：

  10.1007/s00044-017-2105-5
• 作为产物：
  描述：

  (E)-8-Phenyl-3-octen-2-on 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 8-phenyl-2-octanone
  参考文献：
  名称：

  Synthesis and DHFR inhibitory activity of a series of 6-substituted-2,4-diaminothieno[2,3-d]pyrimidines

  摘要：

  A series of 6-aralkyl substituted 2,4-diaminothieno[2,3-d]pyrimidines in which the 6-aryl group is separated from the thieno[2,3-d]pyrimidine ring by two to five methylene groups were synthesized and studied as inhibitors of dihydrofolate reductase from Pneumocystis carinii, Toxoplasma gondii, Mycobacterium avium, and rat liver. Compounds in which the thieno[2,3-d]pyrimidine ring is separated from the 6-aryl substituent by three methylene groups were the most potent inhibitors of the series (with IC50 values ranging from 0.24 and 11.0 muM) but those with two methylene groups between the aromatic rings were the most selective agents. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00101-6

文献信息

• Intramolecular Reactions of Benzylic Azides with Ketones:  Competition between Schmidt and Mannich Pathways
  作者：Aaron Wrobleski、Jeffrey Aubé

  DOI：10.1021/jo001367p

  日期：2001.2.1

  The Lewis acid-promoted reactions of benzylic azides with ketones can proceed by two major pathways. The azido-Schmidt reaction involves simple addition of azide to the ketone followed by rearrangement and ring expansion. In addition, benzylic azides can undergo prior rearrangement to afford iminium ions that can subsequently participate in a Mannich reaction. A series of ketones containing an alpha CH2(CH2)nCH(N3)Ph

  路易斯酸促进的苄基叠氮化物与酮的反应可以通过两个主要途径进行。叠氮基-施密特反应涉及将叠氮化物简单地添加到酮中，然后重排和扩环。另外，苄基叠氮化物可先进行重排以提供亚胺离子，其随后可参与曼尼希反应。制备了一系列含有αCH2（CH2）nCH（N3）Ph取代基（n = 1-3）的酮，以研究产物对酮环尺寸和系链长度的依赖性。对于所有检查的酮类，当使用四碳连接剂时（上述配方中的n = 1），由于分子内Schmidt反应而获得的双环内酰胺的收率很高，但曼尼希产品主要用于较长的拴系剂（n = 2，3）。 ）。
• [EN] CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS<br/>[FR] COMPOSÉS DE PEPTIDES CYCLIQUES ET PROCÉDÉS, SELS ET COMPOSITIONS ASSOCIÉS
  申请人：MERCK SHARP & DOHME

  公开号：WO2015172047A1

  公开（公告）日：2015-11-12

  This invention relates to compounds useful in the preparation of lipopeptides and related methods of preparing and using these compounds.

  本发明涉及在制备脂肽和相关方法中有用的化合物，以及制备和使用这些化合物的相关方法。
• PERFLUOROKETONE COMPOUNDS AND USES THEREOF
  申请人：David Samuel

  公开号：US20100048727A1

  公开（公告）日：2010-02-25

  Novel perfluoroketone compounds of formula [I] and [Ia] are described. Also described are uses thereof, such as for inhibition of phospholipase A 2 activity. Therapeutic uses thereof are also described, such as for the treatment of neural conditions and/or inflammatory conditions, such as demyelinating (e.g., multiple sclerosis) and neural injury (e.g., spinal cord injury).

  本文描述了化学式[I]和[Ia]的新型全氟酮化合物。还描述了它们的用途，例如用于抑制磷脂酶A2活性。还描述了它们的治疗用途，例如用于治疗神经疾病和/或炎症疾病，如脱髓鞘（例如多发性硬化症）和神经损伤（例如脊髓损伤）。
• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：Metcalf, III Chester A.

  公开号：US20140073558A1

  公开（公告）日：2014-03-13

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及一种新型的脂肽化合物，以及这些化合物的药物组合物和将这些化合物用作抗菌化合物的方法。本发明中的化合物特别适用于对抗各种细菌，包括抗药性菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• TEICOPLANIN ANALOGS AND USES THEREOF
  申请人：Academia Sinica

  公开号：US20160347795A1

  公开（公告）日：2016-12-01

  Described herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting bacterial growth. Methods of using the compounds for treating and/or preventing bacterial infection as well as methods of preparing the compounds are also described.