1-(1-(4-chlorophenyl)cyclopropyl)-2-(pyridin-2-ylsulfonyl)ethanone | 1185751-98-7

• 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: 1-(1-(4-chlorophenyl)cyclopropyl)-2-(pyridin-2-ylsulfonyl)ethanone
• 英文别名: 1-[1-(4-chloro-phenyl)-cyclopropyl]-2-(pyridine-2-sulfonyl)-ethanone；1-[1-(4-Chlorophenyl)cyclopropyl]-2-pyridin-2-ylsulfonylethanone
• CAS: 1185751-98-7
• 化学式: C₁₆H₁₄ClNO₃S
• 分子量: 335.811
• InChiKey: OGOGGGYCLUJANM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  72.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-bromo-1-[1-(4-chloro-phenyl)-cyclopropyl]-ethanone 在 三乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 1-(1-(4-chlorophenyl)cyclopropyl)-2-(pyridin-2-ylsulfonyl)ethanone
  参考文献：
  名称：

  [EN] 1 IBETA- HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  [FR] COMPOSÉ

  摘要：

  公开号：

  WO2009106817A3

文献信息

• Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights
  作者：Andreas N. Baumann、Franziska Schüppel、Michael Eisold、Andrea Kreppel、Regina de Vivie-Riedle、Dorian Didier

  DOI：10.1021/acs.joc.8b00297

  日期：2018.5.4

  cyclopropylketones (CPKs) under atmospheric conditions is reported. Comprehensive mechanistic studies are proposed to support this novel, yet unusual, rearrangement. Insights into the mechanism ultimately led to simplification and generalization of the ring contraction of cyclobutenes using mCPBA as an oxidant. This unique and functional group tolerant transformation proceeds under mild conditions at room temperature

  报道了在大气条件下易于形成环丙基酮（CPK）的易获得的环丁烯衍生物的原始氧化环收缩。建议进行全面的机械研究以支持这种新颖但又不寻常的重排。对该机理的见解最终导致使用m简化和泛化环丁烯的环收缩CPBA作为氧化剂。这种独特且具有官能团耐受性的转化是在室温下于温和条件下进行的，从而提供了一个新的多官能基序文库。由于CPK是吸引人的和特权的药效团，这种简单明了的策略的阐述代表了用于药物发现和药物化学的极有价值的工具。另外，所描述的方法被用于以最少的步骤生成生物活性物质和关键前体的库。
• COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE
  申请人：Vicker Nigel

  公开号：US20110112151A1

  公开（公告）日：2011-05-12

  There is provided a compound of formula R 1 —CO—X—Y—Z—R 2 wherein X and Z are each optional groups that are, independently, saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO 2 , CH═CH, CH 2 CH 2 or O; R 1 is wherein denotes the point of attachment; R 2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulfur; and wherein (i) when R 1 is and —CO—X—Y—Z— is CO—CH 2 —SO, CO—CH 2 —S, or CO—CH 2 —SO 2 , R 2 is other than and; (ii) when R 1 is and —CO—X—Y—Z— is —CO—CH 2 —O—, R 2 is other than

  提供了一个化合物的公式R1—CO—X—Y—Z—R2，其中X和Z是可选的基团，它们分别是具有1至3个碳原子的饱和或不饱和碳链；Y是SO、S、SO2、CH═CH、CH2CH2或O；R1是其中的连接点；R2是一个杂环基团，包括一个可选取代的5或6元环，该环仅包含碳和至少一个氮，或仅包含碳、至少两个氮和至少一个硫；其中(i)当R1是且—CO—X—Y—Z—为CO—CH2—SO、CO—CH2—S或CO—CH2—SO2时，R2不是和；(ii)当R1是且—CO—X—Y—Z—为—CO—CH2—O—时，R2不是。
• 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Sterix Limited

  公开号：EP2257528A2

  公开（公告）日：2010-12-08
• [EN] COMPOUND<br/>[FR] COMPOSÉ
  申请人：STERIX LTD

  公开号：WO2009106817A2

  公开（公告）日：2009-09-03

  There is provided a compound of formula R1-CO-X-Y-Z-R2 wherein X and Z are each optional groups independently selected from saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO2, CH=CH, CH2CH2 or O; R1 is selected from the following groups (A) wherein - - - denotes the point of attachment; R2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulphur; and wherein (i) when R1 is group (B) and -CO-X-Y-Z- is CO-CH2-SO, CO-CH2-S, or CO-CH2-SO2, R2 is other than group (C) and; (ii) when R1 is group (D) and -CO-X-Y-Z- is -CO-CH2-O-, R2 is other than group (E).
• [EN] 1 IBETA- HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] COMPOSÉ
  申请人：STERIX LTD

  公开号：WO2009106817A3

  公开（公告）日：2009-12-03