6-chloro-4-methylchroman | 1242433-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-chloro-4-methylchroman
• 英文别名: 6-chloro-4-methyl-3,4-dihydro-2H-chromene
• CAS: 1242433-54-0；164265-19-4
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: SDIBPARLCZEYOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(but-3-en-1-yloxy)-4-chlorobenzene 在 gold(III) chloride 、 silver trifluoromethanesulfonate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 以92%的产率得到6-chloro-4-methylchroman
  参考文献：
  名称：

  Gold-catalyzed intramolecular hydroarylation of olefins. Scope evaluation and preliminary mechanistic studies

  摘要：

  We report a gold-catalyzed intramolecular hydroarylation of unactivated olefins using a combination of AuCl(3)/AgOTf as the catalytic system affording dihydrobenzopyrans, tetralins and tetrahydroquinolines in good yields. For our preliminary mechanistic studies, we have investigated the kinetic isotope effects with deuterated arene compounds and found that this catalytic hydroarylation is consistent with an electrophilic aromatic substitution process. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.04.122

文献信息

• FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES
  申请人：Desbordes Philippe

  公开号：US20100197925A1

  公开（公告）日：2010-08-05

  The present invention relates N-cycloalkyl-N-bicyclic-carboxamide, thiocarboxamide or N-substituted carboximidamide derivatives of formula (I) wherein A represents a carbo-linked, 5-membered heterocyclyl group; T represents O, S, N—R a , N—OR a , N—NR a R b or N—CN; Z 1 represents a C 3 -C 7 -cycloalkyl group; X represents N or a CZ 7 and Z 2 ; Z 3 ; L 1 and L 2 represent various substituents; their process of preparation; preparation intermediate compounds; their use as fungicide active agents, particularly in the form of fungicide compositions and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及公式（I）的N-环烷基-N-双环羧酰胺，硫代羧酰胺或N-取代羧酰亚胺衍生物，其中A代表一个与碳原子相连的五元杂环基团；T代表O，S，N—Ra，N—ORa，N—NRaRb或N—CN；Z1代表一个C3-C7环烷基团；X代表N或CZ7和Z2；Z3，L1和L2代表各种取代基；其制备方法；制备中间化合物；其用作杀真菌剂活性剂，特别是以杀真菌剂组成物的形式和使用这些化合物或组合物控制植物病原真菌，特别是植物的方法。
• Breaking the <i>tert</i>-Butyllithium Contact Ion Pair: A Gateway to Alternate Selectivity in Lithiation Reactions
  作者：Michael P. Crockett、Jeanette Piña、Achyut Ranjan Gogoi、Remy F. Lalisse、Andrew V. Nguyen、Osvaldo Gutierrez、Andy A. Thomas

  DOI：10.1021/jacs.2c13047

  日期：2023.5.17

  by NMR and DFT methods. It was determined that hexamethylphosphoramide (HMPA) can shift the equilibrium of t-BuLi to include the triple ion pair (t-Bu–Li–t-Bu)−/HMPA4Li+ which serves as a reservoir for the highly reactive separated ion pair t-Bu–/HMPA4Li+. Because the Li-atom’s valences are saturated in this ion pair, the Lewis acidity is significantly decreased; in turn, the basicity is maximized

  通过NMR和DFT方法详细研究了路易斯碱性磷酰胺对叔丁基锂聚集结构的影响。据确定，六甲基磷酰胺 (HMPA) 可以改变t- BuLi 的平衡，以包含三重离子对 ( t -Bu–Li– t -Bu) - /HMPA 4 Li + ，它充当高反应性分离离子的储存库对t -Bu – /HMPA 4 Li + 。由于该离子对中锂原子的价态已饱和，路易斯酸度显着降低；反过来，碱度被最大化，这使得氧杂环内的典型定向效应被覆盖，并且远程 sp 3 C-H 键被去质子化。此外，利用这些新获得的锂聚集态开发了一种简单的γ-锂化和苯并二氢吡喃杂环与各种烷基卤化物亲电子试剂的捕获方案，收率良好。
• Synthesis of tetralin and chromane derivatives via In-catalyzed intramolecular hydroarylation
  作者：Kai Xie、Sizhuo Wang、Ping Li、Xiujian Li、Zhiyong Yang、Xiangyu An、Can-Cheng Guo、Ze Tan

  DOI：10.1016/j.tetlet.2010.06.091

  日期：2010.8

  IN(OTf)(3) was found to be an effective catalyst for the cyclization of omega-aryl-1-alkenes to form tetralin and chromane derivatives Compared with the known Ru-catalyzed version, the In-catalyzed intramolecular cyclization was found to give higher yields and cleaner reactions in some cases The use of cheaper indium salts instead of the expensive noble metal Ru can be advantageous when the reaction is run on a large scale (C) 2010 Elsevier Ltd All rights reserved
• US8334390B2
  申请人：——

  公开号：US8334390B2

  公开（公告）日：2012-12-18
• [EN] AMIDE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES D'AMIDE UTILISES COMME INHIBITEURS DES KINASES
  申请人：DEVGEN NV

  公开号：WO2007006546A1

  公开（公告）日：2007-01-18

  [EN] The present invention relates to new AGC kinase inhibitors, in particular to compounds of Formula (I) or (II) or a stereoisomer, tautomer, racemic, metabolite, pro- or predrug, salt, hydrate, or solvate thereof, wherein Ar¹, Ar², R¹, R³, p and n have the meaning defined in the claims In particular, the present invention relates to more specifically AGC kinases inhibitors, compositions, in particular pharmaceuticals, comprising such inhibitors, and to uses of such inhibitors in the treatment and prophylaxis of disease.
  [FR] L'invention concerne des inhibiteurs des kinases de la famille AGC, plus précisément des composés de formules (I) ou (II) ou un stéréoisomère, un tautomère, un élément racémique, une métabolite ou un pro ou prémédicament, un sel, un hydrate ou un solvate de ceux-ci, dans lesquelles Ar¹, Ar², R¹, R³, p et n ont la signification définie dans les revendications. Plus précisément, l'invention concerne des inhibiteurs des kinases de la famille AGC, des compositions, notamment des produits pharmaceutiques, comprenant ces inhibiteurs et des utilisations de tels inhibiteurs dans le traitement et la prophylaxie de maladie.