1-chlorohex-5-en-2-one | 73193-08-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chlorohex-5-en-2-one
• CAS: 73193-08-5
• 化学式: C₆H₉ClO
• mdl: MFCD19232541
• 分子量: 132.59
• InChiKey: OINKKDHHJHKMSW-UHFFFAOYSA-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：
  4
• 环数：
  0.0
• 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：

  1-chlorohex-5-en-2-one 在 glucose-6-phosphate dehydrogenase 、 Α-D-吡喃葡萄糖6-磷酸 、 还原型辅酶II(NADPH)四钠盐 作用下， 以83%的产率得到(R)-1-chlorohex-5-en-2-ol
  参考文献：
  名称：

  High Enantioselectivity and Broad Substrate Specificity of a Carbonyl Reductase:  Toward a Versatile Biocatalyst

  摘要：

  DOI：

  10.1021/jo0108257
• 作为产物：
  描述：

  2-Trimethylsilyloxy-1,5-hexadien 在 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到1-chlorohex-5-en-2-one
  参考文献：
  名称：

  Syntheses of .alpha.-chloroketones by reaction of silyl enol ethers with copper(II) chloride and iron(III) chloride

  摘要：

  DOI：

  10.1021/jo01298a062

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2015026792A1

  公开（公告）日：2015-02-26

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文披露了新的抗病毒化合物，以及包括一种或多种抗病毒化合物的药物组合物，以及合成这些化合物的方法。本文还披露了使用一种或多种小分子化合物改善和/或治疗副粘病毒病毒感染的方法。副粘病毒感染的例子包括由人类呼吸道合胞病毒（RSV）引起的感染。
• A General and Highly Selective Chelate-Controlled Intermolecular Oxidative Heck Reaction
  作者：Jared H. Delcamp、Alexandria P. Brucks、M. Christina White

  DOI：10.1021/ja804120r

  日期：2008.8.27

  chelate-controlled intermolecular oxidative Heck reaction is reported that proceeds with a wide range of nonresonance stabilized alpha-olefin substrates and organoboron reagents to afford internal olefin products in good yields and outstanding regio- and E: Z stereoselectivities. Pd-H isomerization, common in many Heck reactions, is not observed under these mild, oxidative conditions. This is evidenced

  据报道，一种新型螯合物控制的分子间氧化 Heck 反应与各种非共振稳定的 α-烯烃底物和有机硼试剂一起进行，以良好的收率和出色的区域和 E:Z 立体选择性提供内烯烃产品。在许多 Heck 反应中常见的 Pd-H 异构化在这些温和的氧化条件下未观察到。这可以通过出色的 E:Z 选择性（在所有检查的情况下 >20:1）、近端立体中心的光学纯度没有侵蚀以及对未受保护的醇的耐受性来证明。值得注意的是，单一金属/配体组合，Pd/双-亚砜配合物 1，在广泛的偶联伙伴上催化该反应。鉴于高选择性和广泛的范围，
• ANTIVIRAL COMPOUNDS
  申请人：Alios BioPharma, Inc.

  公开号：US20150065504A1

  公开（公告）日：2015-03-05

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文披露了新的抗病毒化合物，以及包括一种或多种抗病毒化合物的制药组合物和合成方法。本文还披露了使用一种或多种小分子化合物改善和/或治疗副黏液病毒病毒感染的方法。副黏液病毒感染的例子包括由人类呼吸道合胞病毒(RSV)引起的感染。
• Antiviral compounds
  申请人：Janssen BioPharma, Inc.

  公开号：US11021444B2

  公开（公告）日：2021-06-01

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文公开了新的抗病毒化合物，以及包括一种或多种抗病毒化合物的药物组合物和合成这些化合物的方法。本文还公开了用一种或多种小分子化合物改善和/或治疗副黏液病毒感染的方法。副粘病毒感染的例子包括由人类呼吸道合胞病毒（RSV）引起的感染。
• Radical addition to carbenoids. Chain reactions of α-diazo carbonyl compounds with triorganotin hydrides, tris(trimethylsilyl)silane and allyltributylstannane
  作者：Hai-Shan Dang、Brian P. Roberts

  DOI：10.1039/p19960000769

  日期：——

  alpha-Diazo ketones RC(O)CH=N-2 react with tributyltin hydride at 60 degrees C in benzene to give the corresponding alpha-stannyl ketones RC(O)CH(2)SnBu(3), which exist in equilibrium with the stannyl enol ether tautomers R(Bu(3)SnO)C=CH2. The reactions are initiated by di-tert-butyl hyponitrite and follow a free-radical chain mechanism, Triphenyltin hydride and tris(trimethylsilyl)silane [(TMS)(3)SiH] react similarly, the latter to yield the alpha-silyl ketone RC(O)CH2Si(TMS)(3) which does not isomerise to the more stable silyl enol ether R[(TMS)(3)SiO]C=CH2 under the reaction conditions. This result indicates that TMS(3)Si reacts at the alpha-carbon atom of the alpha-diazo ketone to give R(CO)CHSiTMS(3), probably via an initial diazenyl radical adduct; triorganotin radicals are assumed to react in the same way, When the group R in the alpha-diazo ketone is but-3-enyl, the intermediate alpha-metalloalkyl radical undergoes 5-exo-cyclisation. Aliyltributylstannane reacts with a-diazo ketones and with ethyl alpha-diazoacetate in refluxing benzene, in the presence of 2,2'-azo(2-methylpropionitrile) as initiator, to give butenyl ketones RC(O)CH2CH2CH=CH2 and ethyl pent-4-enoate, respectively, after a hydrolytic work-up.