6-ethyl-2,2-dimethylchroman

• 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-ethyl-2,2-dimethylchroman
• 英文别名: 2,2-dimethyl-6-ethyl-3,4-dihydro-2H-1-benzopyran；6-Ethyl-2,2-dimethyl-3,4-dihydrochromene
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: BUIXGRYMAWVUCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 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-Ethyl-4-[(3-methylbut-2-enyloxy)]benzene 在 hexacarbonyl molybdenum 作用下， 以 甲苯 为溶剂， 反应 55.0h， 以70%的产率得到6-ethyl-2,2-dimethylchroman
  参考文献：
  名称：

  Facile Synthesis of 2,2-Dimethylchromans by Mo(CO)6 Catalyzed Reaction of Aryl Prenyl Ethers

  摘要：

  DOI：

  10.1055/s-1998-2035

文献信息

• Reusable Scandium/Ionic Liquid Catalyst System for Sequential C-C and C-O Bond Formations between Phenols and Dienes with Atom Economy
  作者：So Youn

  DOI：10.1055/s-2007-990963

  日期：2007.12

  Mild, efficient, and atom economical sequential C-C/C-O bond formations between phenols and dienes using the reusable catalyst system, Sc(OTf) 3 -[bmim][PF 6 ], have been developed to afford in good yields a variety of dihydrobenzopyran and dihydrobenzofuran ring systems, which are important motifs in both naturally occurring and biologically active compounds. In these reactions the ionic liquid acts

  使用可重复使用的催化剂体系 Sc(OTf) 3 -[bmim][PF 6 ] 在苯酚和二烯之间形成温和、高效且原子经济的连续 CC/CO 键，已开发出高产率的各种二氢苯并吡喃和二氢苯并呋喃环系统，它们是天然存在和生物活性化合物中的重要基序。在这些反应中，离子液体不仅充当有效的添加剂，而且充当促进催化剂回收的固定剂。
• Benzopyran derivatives
  申请人：Beecham Group p.l.c.

  公开号：EP0398665A1

  公开（公告）日：1990-11-22

  A compound of formula (I): or, where appropriate, a pharmaceutically acceptable salt, ester or amide thereof, or a pharmaceutically acceptable solvate thereof wherein: X represents O or S; Y represents N or N⁺-O⁻ or a moiety CR₇ wherein R₇ is as defined below; Z represents O, CH₂, NR, S(O)n or Z represents a bond; R represents hydrogen, alkyl or alkylcarbonyl R₁ and R₂ independently represent hydrogen or alkyl; or R₁ and R₂ together represent a C₂₋₇ polymethylene chain; R₃ represents hydrogen, hydroxy, alkoxy or acyloxy; R₄ is hydrogen; R₅ is hydrogen or R₄ and R₅ together represent a bond; R₆ represents hydrogen, substituted or unsubstituted alkyl, alkoxy, C₃₋₈ cycloalkyl, hydroxy, nitro, cyano, halo, formyl, carboxy, a group of formula RaT¹-, RbRcNT-, RaT²NH-, RdCO.O-, RdCS.O-, Rd(OH)CH-, Rd(SH)CH-, RdC(=N.OH)-, RdC(=N.NH₂)- or alkenyl optionally substituted by alkylcarbonyl, nitro or cyano; when Y represents CR₇, R₇ is independently selected from the variables mentioned above in relation to R₆ providing that at least one of R₆ or R₇ is other than hydrogen; Ra represents Rd or RdO- and Rd represents substituted or unsubstituted alkyl, substituted or unsubstituted aryl or substituted or unsubstituted heteroaryl, optional substituents for Rd being up to 3 substituents selected from alkyl, alkoxy, hydroxy, halo, haloalkyl, nitro and cyano; Rb and Rc each independently represent hydrogen, alkyl or alkylcarbonyl; T represents a bond or T¹, T¹ represents -CS- or T² and T² represents -CO-, -SO- or -SO₂- and R₈ represents hydrogen, alkyl or substituted or unsubstituted aryl; R₉ represents hydrogen or alkyl, substituted or unsubstituted aryl or R₈ and R₉ together represent a C₃₋₇ polymethylene group; and n represents 0, 1 or 2; a process for preparing such a compound, a pharmaceutical composition containing such a compound and the use of such a compound or composition in medicine.

  化合物的化学式为（I）：或在适当情况下，其药学上可接受的盐，酯或酰胺，或其药学上可接受的溶剂化合物，其中：X代表O或S；Y代表N或N⁺-O⁻或CR₇基团，其中R₇如下所定义；Z代表O，CH₂，NR，S（O）n或Z代表一个键；R代表氢，烷基或烷基羰基；R₁和R₂独立地代表氢或烷基；或R₁和R₂一起代表一个C₂₋₇多亚甲基链；R₃代表氢，羟基，烷氧基或酰氧基；R₄代表氢；R₅代表氢或R₄和R₅一起代表一个键；R₆代表氢，取代或未取代的烷基，烷氧基，C₃₋₈环烷基，羟基，硝基，氰基，卤素，甲酰基，羧基，公式RaT¹-，RbRcNT-，RaT²NH-，RdCO.O-，RdCS.O-，Rd（OH）CH-，Rd（SH）CH-，RdC（=N.OH）-，RdC（=N.NH₂）-或烯基，可选地用烷基羰基，硝基或氰基取代；当Y代表CR₇时，R₇独立地从上述与R₆有关的变量中选择，前提是R₆或R₇中至少有一个不是氢；Ra代表Rd或RdO-，而Rd代表取代或未取代的烷基，取代或未取代的芳基或取代或未取代的杂环基，Rd的可选取代基包括最多3个从烷基，烷氧基，羟基，卤素，卤代烷基，硝基和氰基中选择的取代基；Rb和Rc各自独立地代表氢，烷基或烷基羰基；T代表一个键或T¹，T¹代表-CS-或T²，T²代表-CO-，-SO-或-SO₂-，而R₈代表氢，烷基或取代或未取代的芳基；R₉代表氢或烷基，取代或未取代的芳基或R₈和R₉一起代表一个C₃₋₇多亚甲基基团；n代表0，1或2；制备这种化合物的方法，含有这种化合物的药物组合物以及这种化合物或组合物在医药中的用途。
• Iron-Catalyzed Arene Prenylation
  作者：Alexander J. Villani-Gale、Chad C. Eichman

  DOI：10.1002/ejoc.201600531

  日期：2016.6

  arenes and 2,2-dimethylchromans using a Friedel–Crafts-type coupling between activated arenes and isoprene is reported. A combination of catalytic amounts of FeCl3 and AgBF4 promotes a regioselective prenylation event followed by a cyclization to form a 2,2-dimethylchroman structure. The method avoids isoprene polymerization and allows the facile late-stage derivatization of biologically active motifs.

  报道了使用活化芳烃和异戊二烯之间的 Friedel-Crafts 型偶联合成异戊二烯化芳烃和 2,2-二甲基色满。催化量的 FeCl3 和 AgBF4 的组合促进了区域选择性异戊二烯化事件，然后环化形成 2,2-二甲基色满结构。该方法避免了异戊二烯聚合，并允许生物活性基序的后期衍生化。
• [EN] EZH2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'EZH2 ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016073956A1

  公开（公告）日：2016-05-12

  The present disclosure provides compounds of any one of Formulae (I) and (II). The compounds described herein are inhibitors of histone methyltransferases (e.g., enhancer of zeste homolog 1 (EZH1) and enhancer of zeste homolog 2 (EZH2)) and are useful in treating and/or preventing a broad range of diseases (e.g., proliferative diseases). Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including or using a compound described herein. Further provided in the present disclosure are methods of identifying EZH1and/or EZH2 inhibitors.

  本公开提供了任一式（I）和（II）中的化合物。本文描述的化合物是组蛋白甲基转移酶抑制剂（例如增强子齿同源蛋白1（EZH1）和增强子齿同源蛋白2（EZH2）），可用于治疗和/或预防广泛范围的疾病（例如增生性疾病）。本公开还提供了包括或使用本文描述的化合物的药物组合物、试剂盒、方法和用途。本公开还提供了识别EZH1和/或EZH2抑制剂的方法。
• [EN] USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD)<br/>[FR] UTILISATION DE COMPOSITIONS MODULANT LA STRUCTURE DE LA CHROMATINE CONTRE LA MALADIE DU GREFFON CONTRE L'HÔTE (GVHD)
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016073903A1

  公开（公告）日：2016-05-12

  In some aspects, the instant disclosure relates to methods of treating chronic graft versus host disease (cGVHD). In some embodiments, the method comprises administering to a subject in need thereof a EZH2 inhibitor, a Bcl6 inhibitor and/or BRD4 inhibitor. The present disclosure is based, at least in part, on the discovery that enhancer of zeste homolog 2 (EZH2) inhibitors, B-cell lymphoma 6 protein (Bcl6) inhibitors and/or bromodomain-containing protein 4 (BRD4) inhibitors can be used to treat chronic graft versus host disease (cGVHD).

  在某些方面，瞬时披露涉及治疗慢性移植物抗宿主病（cGVHD）的方法。在某些实施例中，该方法包括向需要该方法的受试者施用EZH2抑制剂、Bcl6抑制剂和/或BRD4抑制剂。本公开至少部分地基于发现，增强子of zeste同源物2（EZH2）抑制剂、B细胞淋巴瘤6蛋白（Bcl6）抑制剂和/或含有bromodomain的蛋白4（BRD4）抑制剂可用于治疗慢性移植物抗宿主病（cGVHD）。