7-甲氧基-3,3-二甲基-2,3-二氢-1H-茚-1-酮 | 140869-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 7-甲氧基-3,3-二甲基-2,3-二氢-1H-茚-1-酮
• 英文名称: 7-Methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
• 英文别名: 7-methoxy-3,3-dimethyl-2H-inden-1-one
• CAS: 140869-27-8
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: AQBDPYQXJHXLJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  7-甲氧基-3,3-二甲基-2,3-二氢-1H-茚-1-酮 在 吡啶 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 jones reagent 、 三氟化硼乙醚 、 potassium tert-butylate 、 氨 、 三溴化硼 、 三溴化磷 、 lithium 、 dipyridine chromium trioxide 、 氯化铵 、 lithium diisopropyl amide 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 二氯甲烷 、 丙酮 、 叔丁醇 、 苯 为溶剂， 反应 98.0h， 生成 1,2,3,4,5,6-六氢-1,1,5,5-四甲基-7H-2,4alpha-甲桥萘-7-酮
  参考文献：
  名称：

  Aryl participated cyclisations involving indane derivatives a total synthesis of (±)-isolongifolene

  摘要：

  A total synthesis of (+/-)-isolongifolene (1) has been accomplished using intramolecular anionic cyclisation of the bromophenol 2 as the key step. Aryl participated intramolecular cyclisation of the diazomethyl ketones 17 and 23 provided the dienediones 18 and 24 which were stereo-selectively converted into the diketones 19 and 25 respectively.

  DOI：

  10.1016/s0040-4039(00)91904-x
• 作为产物：
  描述：

  3-甲基巴豆酰氯 在 四氯铝酸钠 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.08h， 生成 7-甲氧基-3,3-二甲基-2,3-二氢-1H-茚-1-酮
  参考文献：
  名称：

  Aryl participated cyclisations involving indane derivatives a total synthesis of (±)-isolongifolene

  摘要：

  A total synthesis of (+/-)-isolongifolene (1) has been accomplished using intramolecular anionic cyclisation of the bromophenol 2 as the key step. Aryl participated intramolecular cyclisation of the diazomethyl ketones 17 and 23 provided the dienediones 18 and 24 which were stereo-selectively converted into the diketones 19 and 25 respectively.

  DOI：

  10.1016/s0040-4039(00)91904-x

文献信息

• An efficient total synthesis of (±)-isokhusimone
  作者：Subrata Kumar Pal、Sukanta Bhattacharyya、Debabrata Mukherjee

  DOI：10.1016/s0040-4039(98)01942-x

  日期：1998.11

  A total synthesis of (±)-isokhusimone2 has been accomplished efficiently involving the rearrangement of the mesylate17 as a key step. Ar1-5 cyclisation of the bromophenol12 furnished the tricyclic dienone13 which was subsequently converted into17.

  有效地完成了（±）-异khusimone 2的全合成，这涉及作为关键步骤的甲磺酸酯17的重排。溴酚12的Ar 1 -5环化提供了三环二烯酮13，其随后被转化为17。
• A stereocontrolled total synthesis of (±)-Δ2-cedrene
  作者：Sarbani Das、Ashutosh Pal、Debabrata Mukherjee

  DOI：10.1016/0040-4039(96)00854-4

  日期：1996.6

  An efficient stereocontrolled synthesis of (±)-Δ2-cedrene 2 has been accomplished using intramolecular anionic cyclisation of the bromophenol 13 as a key step.

  的有效立体控制合成（±）-Δ 2柏木烯2已使用溴酚13的分子内环化阴离子作为关键步骤中完成。
• NHC Ligand-Enabled, Palladium-Catalyzed Non-Directed C(sp³)–H Carbonylation To Access Indanone Cores
  作者：Shou-Le Cai、Yan Li、Chi Yang、Jie Sheng、Xi-Sheng Wang

  DOI：10.1021/acscatal.9b03426

  日期：2019.11.1

  A palladium-catalyzed C(sp(3))-H carbonylation of alkylated aryl triflates or bromides under 1 atm of CO has been developed, in which no directing group or oxidant was required. The essence of this reaction is the combination of appropriate NHC ligands with palladium to facilitate the formation of the five-membered cyclopalladium intermediate. Mechanism studies suggest that the insertion of carbon monoxide into two five-membered cyclopalladium species generated via palladium migration might be the crucial step for this transformation. This method offers an efficient solution for expedient construction of indanone cores, which are valuable synthons and pharmacophores ubiquitously found in numerous natural products.
• Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use
  申请人：AbbVie S.à.r.l.

  公开号：US20180244611A1

  公开（公告）日：2018-08-30

  The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.
• [EN] MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE<br/>[FR] MODULATEURS DE PROTÉINE RÉGULATRICE DE CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE ET PROCÉDÉS D'UTILISATION
  申请人：ABBVIE SARL

  公开号：WO2018154519A1

  公开（公告）日：2018-08-30

  The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention. In one embodiment, the compound is a compound of Formula (I), or a pharmaceutically acceptable salt thereof, (I) wherein A1 is selected from the group consisting of X1, X2, X3, X4; R1, R2A, R2B, R2C, R2D, R3, R4,R5A, R5B, R5C, R5D, R6A, R6B, R6C, R6D, R7, R8, R9, R10, R11, R12, R13, and R14 are as described herein.