5-chloro-1-(thiophen-2-yl)pentan-1-one | 90416-36-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-chloro-1-(thiophen-2-yl)pentan-1-one
• 英文别名: 5-Chloro-1-(2-thienyl)-1-pentanone；5-chloro-1-thiophen-2-ylpentan-1-one
• CAS: 90416-36-7
• 化学式: C₉H₁₁ClOS
• mdl: MFCD06619403
• 分子量: 202.705
• InChiKey: MEJWQQQVERMVQS-UHFFFAOYSA-N

物化性质

• 熔点：
  38-39 °C
• 沸点：
  110-116 °C(Press: 0.3 Torr)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-氯代戊酰氯 在 aluminium chloride 作用下， 以 噻吩 、 盐酸 为溶剂， 以81.65%的产率得到5-chloro-1-(thiophen-2-yl)pentan-1-one
  参考文献：
  名称：

  1,4-dihydropyridine derivatives and their use in therapy

  摘要：

  以下结构的新型1,4-DHP化合物被描述为在冠心病治疗中具有更好的治疗活性：##STR1## 其中n和R1如规范中定义。

  公开号：

  US06166035A1

文献信息

• Copper-catalyzed radical ring-opening halogenation with HX
  作者：Shuai Liu、Ming Bai、Peng-Fei Xu、Qing-Xin Sun、Xin-Hua Duan、Li-Na Guo

  DOI：10.1039/d1cc03013b

  日期：——

  An efficient copper-catalyzed radical ring-opening halogenation with HX (aq) is described. This protocol features redox-neutral conditions, green halogen sources, and a broad substrate scope, providing practical access to distally chlorinated, brominated and iodinated alkyl ketones and alkyl nitriles with moderate to good yields.

  描述了一种有效的铜催化自由基开环卤化与 HX (aq)。该协议具有氧化还原中性条件、绿色卤素源和广泛的底物范围，为获得中等至良好收率的远端氯化、溴化和碘化烷基酮和烷基腈提供了实用的途径。
• In-situ-generation of alkylsilyl peroxides from alkyl hydroperoxides and their subsequent copper-catalyzed functionalization with organosilicon compounds
  作者：Weiping Xu、Wenfeng Zhong、Qin Yang、Terumasa Kato、Yan Liu、Keiji Maruoka

  DOI：10.1016/j.tetlet.2021.153144

  日期：2021.7

  Alkylsilyl peroxides were generated in situ from the corresponding alkyl hydroperoxides using organosilicon compounds of the type Me3SiX (X = CN, N3, and halogens) and an amine base. Subsequent in situ copper-catalyzed homolytic cleavage of the alkylsilyl peroxides afforded alkyl radicals, which were then trapped with X (X = CN, N3, and halogens) to furnish products with new carbon-carbon, carbon-nitrogen

  使用Me 3 SiX（X = CN、N 3和卤素）类型的有机硅化合物和胺碱从相应的烷基氢过氧化物原位生成烷基甲硅烷基过氧化物。随后在铜催化下对烷基过氧化物进行原位均裂，得到烷基自由基，然后用 X（X = CN、N 3和卤素）捕获烷基自由基，从而为产品提供新的碳-碳、碳-氮或碳-卤素债券收益高。
• A new approach for the copper-catalyzed functionalization of alkyl hydroperoxides with organosilicon compounds via in-situ-generated alkylsilyl peroxides
  作者：Wenfeng Zhong、Weiping Xu、Qin Yang、Terumasa Kato、Yan Liu、Keiji Maruoka

  DOI：10.1016/j.tet.2021.132627

  日期：2022.4

  Using organosilicon compounds of the type Me3SiX (X = CN, N3, CnF2n+1, and halogens) and an amine base, alkylsilyl peroxides were generated in situ from the corresponding alkyl hydroperoxides. Subsequent in situ copper-catalyzed homolytic cleavage of the alkylsilyl peroxides afforded alkyl radicals, which were then trapped with a nucleophile X (X = CN, N3, CnF2n+1, and halogens) to furnish coupling

  使用 Me 3 SiX 类型的有机硅化合物（X = CN、N 3、C n F 2n+1和卤素）和胺碱，由相应的烷基氢过氧化物原位生成烷基甲硅烷基过氧化物。随后的原位铜催化均裂烷基过氧化硅得到烷基自由基，然后被亲核试剂 X (X = CN, N 3 , C n F 2n+1, 和卤素) 以提供具有新碳-碳、碳-氮或碳-卤素键的偶联产物，产率从好到高。此外，1-(三甲基甲硅烷基)吗啉还可用于原位生成过氧化烷基甲硅烷基，随后高效地用于酰胺的N-烷基化、芳基化和硼基化。
• Preventives/remedies for urinary disturbance
  申请人：Ishihara Yuji

  公开号：US20050197362A1

  公开（公告）日：2005-09-08

  Preventives/remedies for voiding disturbance containing a compound having both of an acetylcholinesterase inhibitory action and an α1 antagonistic action which exhibits an excellent effect of improving the urinary function of the bladder (i.e., effects of improving urine flow rate and voiding efficiency) without affecting the urinary pressure or the blood pressure.

  具有乙酰胆碱酯酶抑制作用和α1拮抗作用的化合物的预防/治疗措施，可以显著改善膀胱的尿液功能（即改善尿流率和排尿效率的效果），而不影响尿压或血压。
• PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1466625A1

  公开（公告）日：2004-10-13

  Preventives/remedies for voiding disturbance containing a compound having both of an acetylcholinesterase inhibitory action and an α1 antagonistic action which exhibits an excellent effect of improving the urinary function of the bladder (i.e., effects of improving urine flow rate and voiding efficiency) without affecting the urinary pressure or the blood pressure.

  预防/治疗排尿障碍的药物，其中含有一种同时具有乙酰胆碱酯酶抑制作用和α1拮抗作用的化合物，该化合物在不影响尿压或血压的情况下，对改善膀胱排尿功能（即改善尿流率和排尿效率）具有极佳的效果。