1-(1H-inden-3-yl)propan-2-one | 103556-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-(1H-inden-3-yl)propan-2-one
• 英文别名: 3-acetonylindene；3-Acetonylinden；1-(3H-inden-1-yl)propan-2-one
• CAS: 103556-85-0
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: MUFZKPWGWKTENW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  2-(氯甲基)-3,5-二氧杂-1-己烯 、 茚 在 sodium t-butanolate 作用下， 反应 3.0h， 以70%的产率得到1-(1H-inden-3-yl)propan-2-one
  参考文献：
  名称：

  2-(Chloromethyl)-3,5-dioxahex-1-ene. An effective acetonylating reagent

  摘要：

  DOI：

  10.1021/jo00391a003

文献信息

• Traceless OH-Directed Wacker Oxidation-Elimination, an Alternative to Wittig Olefination/Aldol Condensation: One-Pot Synthesis of <i>α</i>,<i>β</i>-Unsaturated and Nonconjugated Ketones from Homoallyl Alcohols
  作者：Venkati Bethi、Rodney A. Fernandes

  DOI：10.1021/acs.joc.6b01899

  日期：2016.9.16

  A new method for one-pot synthesis of β-substituted and β,β-disubstituted α,β-unsaturated methyl ketones from homoallyl alcohols by sequential PdCl2/CrO3-promoted Wacker process followed by an acid-mediated dehydration reaction has been developed. Remarkably, internal homoallyl alcohols delivered regioselectively nonconjugated unsaturated carbonyl compounds under the same protocol. A new starting material-based

  用于一锅合成的新方法β-取代和β，β -二取代的α，β通过顺序的PdCl不饱和的甲基酮从高烯丙基醇2 / CRO 3促进的瓦克法然后酸介导的脱水反应已经开发。值得注意的是，内部均烯丙基醇在相同的方案下可选择性地引入区域选择性的非共轭不饱和羰基化合物。证明了一种新的基于原料的α，β-不饱和和非共轭甲基酮的合成方法。
• NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Beigelman Leonid

  公开号：US20090047246A1

  公开（公告）日：2009-02-19

  The embodiments provide compounds of the general Formula I, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本实施例提供通式I的化合物，以及包括制剂（包括制药制剂）的组合物，其中包括一种主体化合物。本实施例进一步提供治疗方法，包括治疗丙型肝炎病毒感染的方法，该方法通常涉及向需要的个体施用主体化合物或组合物的有效量。
• ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME
  申请人：Miyazaki Hiroshi

  公开号：US20110218160A1

  公开（公告）日：2011-09-08

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由以下式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，其制备方法，以及上述化合物作为钙感受受体（CaSR激动剂）的活化化合物，以及含有上述化合物作为有效成分的制药组合物等的用途。式中符号的含义如下：Ar：可选择取代的芳基或可选择取代的杂环芳基，其中杂环的环部分是一个五元到六元的含有1或2个杂原子的单环杂环，与苯环融合；R1：从以下组中选择的一组基：可选择取代的环烃基和可选择取代的杂环基；n：1到3的整数；X：单键臂，—CH2—，—CO—，—（CH2）m—CO—，—CH（R2）—CO—，—（CH2）p—Y—（C（R3）（R4））q—CO—，—NH—CO—或—N（R5）—CO—；在上述各定义中，左端所述的键臂表示与R1的键合；m为1到3的整数；p为0到2的整数；q为0到2的整数；Y：—O—或—SO2—；R2：苯基或低碳基；R3、R4：各自独立地表示氢原子或低碳基；R5：低碳基；但提供的是，所述R1表示的基的环部分既不是萘亚甲基基团，也不是其部分饱和的基团，并且当X为—CH2—或—CO—时，R1不是萘基。
• GU, XUE-PING;NISHIDA, NOBUYUKI;IKEDA, ISAO;OKAHARA, MITSUO, J. ORG. CHEM., 52,(1987) N 15, 3192-3196
  作者：GU, XUE-PING、NISHIDA, NOBUYUKI、IKEDA, ISAO、OKAHARA, MITSUO

  DOI：——

  日期：——
• US8703721B2
  申请人：——

  公开号：US8703721B2

  公开（公告）日：2014-04-22