3-(4-chlorophenyl)-3-methyl-(3H)-isobenzofuran-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-(4-chlorophenyl)-3-methyl-(3H)-isobenzofuran-1-one
• 英文别名: 3-(4-chlorophenyl)-3-methylisobenzofuran-1(3H)-one；3-(4-chlorophenyl)-3-methyl-1(3H)-isobenzofuranone；3-(4-chlorophenyl)-3-methyl-2-benzofuran-1-one
• 化学式: C₁₅H₁₁ClO₂
• 分子量: 258.704
• InChiKey: JWSYJEHNJAOQFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-chlorophenyl)-3-methyl-(3H)-isobenzofuran-1-one 生成 4-Chlor-2'-hydroxymethyl-α-methyl-benzhydrol
  参考文献：
  名称：

  CLOUGH, J. M.;BEAUTEMENT, K.

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-氯苯甲酰)苯甲酸 生成 3-(4-chlorophenyl)-3-methyl-(3H)-isobenzofuran-1-one
  参考文献：
  名称：

  CLOUGH, J. M.;BEAUTEMENT, K.

  摘要：

  DOI：

文献信息

• Critical Ligand and Salt Effects in Organomagnesiate‐Promoted 3,3‐Disubstituted Phthalides Synthesis from 2‐Iodobenzoate Derivatives
  作者：Sabrina Touchet、Callum Yeardley、Charles T. O'Hara、Philippe C. Gros

  DOI：10.1002/ejoc.202100899

  日期：2021.9.14

  exchange, using the bimetallic organomagnesiate ate complex (rac)-(BIPHEN)BuMgLi, of easily available 2-iodobenzoates derivatives followed by addition of (enolizable) ketones and intramolecular cyclisation lead to the formation of a panel of new diversely 3,3-disubstituted phthalides in good yield. The magnesiate (rac)-(BIPHEN)BuMgLi was the only MHE agent we tested which allowed this transformation

  令人惊讶的是 ( rac )-(BIPHEN)BuMgLi(THF) x Li + Cl -。金属卤素交换，使用双金属有机镁酸盐络合物 ( rac )-(BIPHEN)BuMgLi，容易获得的 2-碘苯甲酸盐衍生物，然后添加（烯醇化）酮和分子内环化导致形成一组新的多样化 3,3 -二取代的邻苯二甲酸酯收率良好。镁酸盐( rac )-(BIPHEN)BuMgLi 是我们测试的唯一允许这种转化的 MHE 试剂，它已通过溶液态1 H、7 Li 和1 H DOSY NMR 实验表征，并用于合成已知的生物活性物质分子。
• Tetrahydroimidazo[2,1-A]isoquinoline derivatives
  申请人：Akzo Nobel NV

  公开号：US05994366A1

  公开（公告）日：1999-11-30

  The present invention relates to certain tetrahydroimidazo[2,1-a]isoquinoline derivatives according to formula I wherein X is a group (A) or (B) ##STR1## R.sup.1, R.sup.2 and R.sup.3, which may be the same or different, each represent one or more substituents selected from hydrogen, C.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkylthio, C.sub.4-6 cycloalkenyl, C.sub.2-6 alkenyl, C.sub.2-6 alkynyl and halogen; R.sup.4, R.sup.5, R.sup.6 and R.sup.7, which may be the same or different, are each selected from hydrogen, C.sub.1-6 alkoxyC.sub.1-6 alkyl, C.sub.4-6 cycloalkenyl, C.sub.2-6 alkenyl, C.sub.2-6 alkynyl, C.sub.3-6 cycloalkyl and C.sub.1-6 alkyl; n is 1 or 2; or a pharmaceutically acceptable salt or solvate thereof, to processes for their preparation, to pharmaceutical formulations containing them and to their use in medical therapy, particularly in the treatment of depression.

  本发明涉及一类四氢咪唑并[2,1-a]异喹啉衍生物，其化学式为I，其中X为(A)或(B)组，R1、R2和R3可以相同或不同，分别代表氢、C1-6烷基、C3-6环烷基、C1-6烷氧基、C1-6烷硫基、C4-6环烯基、C2-6烯基、C2-6炔基和卤素中的一种或多种取代基；R4、R5、R6和R7可以相同或不同，分别选自氢、C1-6烷氧基C1-6烷基、C4-6环烯基、C2-6烯基、C2-6炔基、C3-6环烷基和C1-6烷基；n为1或2；或其药学上可接受的盐或溶剂，以及其制备方法、含有它们的制剂和在医疗治疗中的使用，特别是在抗抑郁治疗中的使用。
• Tetrahydroimidazo (2,1-a)isoquinoline derivatives
  申请人：Akzo Nobel N.V.

  公开号：EP0887349A1

  公开（公告）日：1998-12-30

  The present invention relates to certain tetrahydroimidazo[2,1-a]isoquinoline derivatives according to formula I wherein X is a group (A) or (B) R1, R2 and R3, which may be the same or different, each represent one or more substituents selected from hydrogen, C1-6alkyl, C3-6cycloalkyl C1-6alkoxy, C1-6alkylthio, C4-6cycloalkenyl, C2-6alkenyl, C2-6alkynyl and halogen; R4, R5, R6 and R7, which may be the same or different, are each selected from hydrogen, C1-6alkoxyC1-6alkyl, C4-6cycloalkenyl, C2-6alkenyl, C2-6alkynyl, C3-6cycloalkyl and C1-6alkyl; n is 1 or 2; or a pharmaceutically acceptable salt or solvate thereof, to processes for their preparation, to pharmaceutical formulations containing them and to their use in medical therapy, particularly in the treatment of depression.

  本发明涉及某些符合式 I 的四氢咪唑并[2,1-a]异喹啉衍生物 其中 X 是基团 (A) 或 (B) R1、R2 和 R3 可以相同或不同，各自代表一个或多个取代基，选自氢、C1-6 烷基、C3-6 环烷基 C1-6烷氧基、C1-6烷硫基、C4-6 环烯基、C2-6烯基、C2-6炔基和卤素；R4、R5、R6 和 R7 可以相同或不同，各自选自氢、C1-6烷氧基 C1-6烷基、C4-6 环烯基、C2-6烯基、C2-6炔基、C3-6 环烷基和 C1-6烷基；n为1或2；或其药学上可接受的盐或溶液，以及制备它们的工艺、含有它们的药物制剂和它们在医疗中的用途，特别是在治疗抑郁症中的用途。
• New, Facile Synthesis of 3,3-Disubstituted Phthalides Based on the Reaction of α-Substituted 2-Lithiostyrenes with Carbon Dioxide
  作者：Kazuhiro Kobayashi、Taketoshi Kozuki、Shuhei Fukamachi、Hisatoshi Konishi

  DOI：10.3987/com-09-11837

  日期：——

  A new method to prepare 3,3-disubstituted phthalides [isobenzofuran-1(3H)-ones] from alpha-substituted 2-bromostyrenes has been developed. The reaction of alpha-substituted 2-lithiostyrenes, generated in situ by bromine-lithium exchange between alpha-substituted 2-bromostyrenes and butyllithium, with carbon dioxide gave the corresponding lithium 2-vinylbenzoates, which upon treatment with concentrated hydrochloric acid afforded the desired products in one pot.
• CLOUGH, J. M.;BEAUTEMENT, K.
  作者：CLOUGH, J. M.、BEAUTEMENT, K.

  DOI：——

  日期：——