(3Z)-3-乙基-3-戊烯-2-酮 | 52883-77-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (3Z)-3-乙基-3-戊烯-2-酮
• 英文名称: (Z)-3-ethyl-3-penten-2-one
• 英文别名: (Z)-3-ethyl-pent-3-en-2-one；(Z)-3-ethylpent-3-en-2-one
• CAS: 52883-77-9
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: KRJQGIMOLPOGQY-DAXSKMNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-乙基-1-戊炔-3-醇 在 [Ru(η³-2-C3H4Me)(CO)(1,1'-(Ph2P)2-ferrocene)][SbF6] 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 (E)-3-ethyl-3-penten-2-one 、 (3Z)-3-乙基-3-戊烯-2-酮
  参考文献：
  名称：

  炔丙醇异构化为α，β不饱和羰基化合物催化由十六电子烯丙基钌（II）配合物的[Ru（η 3 -2-C 3 H ^ 4 ME）（CO）（DPPF）] [的SbF 6 ]

  摘要：

  16-E -（η 3 -烯丙基） -钌（II）配合物的[Ru（η 3 -2-C 3 H ^ 4 ME）（CO）（DPPF）] [的SbF 6 ]是用于区域选择性异构化的有效催化剂在温和条件下将末端炔丙醇HCCCR 1 R 2（OH）转变为α，β-不饱和醛R 1 R 2 CCHCHO或酮R 3 R 4 CC（R 1）COMe（如果R 2 = CHR 3 R 4）。这种复杂的也已用作催化剂用于制备缀合的1,3-烯炔的经由 炔丙醇的脱水。

  DOI：

  10.1002/adsc.200505294

文献信息

• Metal-Catalyzed Oxidations with Pinane Hydroperoxide:  A Mechanistic Probe To Distinguish between Oxometal and Peroxometal Pathways
  作者：H. E. B. Lempers、A. Ripollès i Garcia、R. A. Sheldon

  DOI：10.1021/jo971270b

  日期：1998.3.1

  The relative reactivities of tert-butyl hydroperoxide (TBHP) and pinane hydroperoxide (PHP) in metal (Cr, Mo, Ru, Se, V, and Zr)-catalyzed oxidations were compared. When these oxidations involve rate-limiting oxygen transfer from a peroxometal species to the substrate huge differences between TBHP and PHP were observed, e.g., molybdenum-catalyzed epoxidation of cyclohexene with TBHP gave a 98% yield while PHP gave 0%. When the reaction involves reaction of an oxometal species with the substrate as the rate-limiting step, little or no difference is observed, e.g., the selenium-catalyzed allylic oxidation of beta-pinene gave a 96% and 99% yield with TBHP and PHP, respectively. Small but significant differences are observed when reoxidation of the catalyst by the hydroperoxide to the active oxometal species is the rate-limiting step; e.g., the chromium-catalyzed oxidation of carveol gave carvone in 89% and 24% yield with TBHP and PHP, respectively. Hence, the effect of RO2H structure on rate is dependent on the rate-limiting step.
• Formulation of radioprotective alpha beta unsaturated aryl sulfones
  申请人：Maniar Manoj

  公开号：US20110028504A1

  公开（公告）日：2011-02-03

  A pharmaceutical composition is provided for administration prior to or after exposure to ionizing radiation for reducing toxic effects of the radiation in a subject. An effective amount of the pharmaceutical composition provided comprising an effective amount of at least one radioprotective α, β unsaturated aryl sulfone, and at least one component selected from the group consisting of a) at least one water soluble polymer in an amount between about 0.5% and about 90% w/v, b) at least one chemically modified cyclodextrin in an amount between about 20% and about 60% w/v, and c) DMA in an amount between about 10% and about 50% w/v.
• STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE
  申请人：Maniar Manoj

  公开号：US20130012589A1

  公开（公告）日：2013-01-10

  An aqueous pharmaceutical solution composition comprising between about 20 mg/ml to about 100 mg/ml of a radioprotective α,β-unsaturated aryl sulfone, a cosolvent comprising polyethylene glycol (PEG), polypropylene glycol, polyglycerol, DMA, propylene glycol, glycerol, ethanol, sorbitol, isopropyl alcohol, or a combination thereof in an amount between about 25% and about 90% w/v, and a water soluble Vitamin E derivative, wherein the composition has a pH within the range of about 7.0 to about 9.5.
• COMPOSITIONS AND METHODS FOR PREVENTION AND TREATEMENT OF WOUNDS
  申请人：Kumar Ramesh

  公开号：US20130012588A1

  公开（公告）日：2013-01-10

  The present invention provides compositions and methods for promoting rapid healing and/or regeneration of damaged tissue resulting from a wound comprising administering to a subject in need thereof a therapeutically effective amount of a pharmaceutical composition comprising a compound of (E)-4-carboxystyryl-4-chlorobenzylsulfone, or a functional derivative thereof, and a pharmaceutically acceptable excipient.
• FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES
  申请人：Bell Stanely C.

  公开号：US20150238448A1

  公开（公告）日：2015-08-27

  Solution and suspension formulations are provided for administration prior to or after exposure to ionizing radiation for reducing toxic effects of the radiation in a subject which comprises an effective amount of at least one radioprotective α, β unsaturated aryl sulfone wherein the composition has a pH within the range of about 8 to about 9.