9-isopropyl-9H-xanthene | 63710-08-7

• 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: 9-isopropyl-9H-xanthene
• 英文别名: 9-Isopropyl-xanthen；9-(Propan-2-YL)-9H-xanthene；9-propan-2-yl-9H-xanthene
• CAS: 63710-08-7
• 化学式: C₁₆H₁₆O
• 分子量: 224.302
• InChiKey: NNYWTBGJYCOBOF-UHFFFAOYSA-N

物化性质

• 沸点：
  305.2±22.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  2-(9H-xanthen-9-yl)propan-2-yl methyl oxalate 在 2-(2-吡啶)-苯并咪唑 、 二苯基硅烷 、 magnesium chloride 、 nickel dichloride 、 锌 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以60%的产率得到9-isopropyl-9H-xanthene
  参考文献：
  名称：

  锌介导的叔烷基草酸酯的加氢脱氧

  摘要：

  本文中，我们描述了在Ni催化条件下通过Zn /硅烷对易获得的叔烷基草酸酯进行加氢脱氧的一般，温和和可扩展的方法。还原方法适用于衍生自带有不同官能团的叔醇的一系列结构基序，包括在通往雌酮的途中合成关键中间体。

  DOI：

  10.1055/a-1328-0352

文献信息

• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Quinazoline derivatives useful in cancer treatment
  申请人：Mallams K. Alan

  公开号：US20070015774A1

  公开（公告）日：2007-01-18

  The present invention provides compounds of Formula I (wherein R 1 , R 2 , R 3 , L, and X are as defined herein). or a pharmaceutically acceptable salt, solvate or ester thereof. The present invention also provides compositions comprising these compounds that are useful for treating cellular proliferative diseases, disorders associated with activity of mutants of p53, or in causing apoptosis of cancer cells.

  本发明提供了式I的化合物（其中R1、R2、R3、L和X如本文所定义）。或其药用可接受的盐、溶剂或酯。本发明还提供了包含这些化合物的组合物，用于治疗细胞增殖性疾病、与p53突变体活性有关的疾病，或导致癌细胞凋亡。
• S_N 2 Reaction of Diarylmethyl Anions at Secondary Alkyl and Cycloalkyl Carbons
  作者：Riku Shinohara、Narihito Ogawa、Hidehisa Kawashima、Kyohei Wada、Shun Saito、Takashi Yamazaki、Yuichi Kobayashi

  DOI：10.1002/ejoc.201801596

  日期：2019.2.21

  The substitution reactions of diphenyl sec‐alkyl phosphates with Ar2CH anions were swift and proceeded with inversion. In contrast, the diphenyl substituted‐cyclohexyl phosphates proceeded with inversion, but showed different reactivity depending on the relative stereochemistry of the substituent and the (PhO)2PO2 leaving group. The difference in reactivity was rationalized by computational calculation

  磷酸二苯基仲烷基磷酸酯与Ar 2 CH阴离子的取代反应迅速进行，并进行了转化。相比之下，二苯基取代的环己基磷酸酯进行了转化，但根据取代基和（PhO）2 PO 2离开基团的相对立体化学，显示出不同的反应性。反应性的差异通过过渡能的计算得到合理化。
• COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS
  申请人：Rosse Gerard

  公开号：US20100234356A1

  公开（公告）日：2010-09-16

  The present invention relates to compounds useful as Chemokine Receptor antagonists. Compounds of general formula I are provided: or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compounds and compositions for the inhibition of Chemokine Receptors and also for the treatment of various diseases, conditions, or disorders, including acute or chronic inflammatory disease, cancer, and osteolytic bone disorders.

  本发明涉及作为趋化因子受体拮抗剂有用的化合物。提供了一般式I的化合物:或其药学上可接受的盐。该发明还提供了包含所述化合物的药学上可接受的组合物以及使用该化合物和组合物抑制趋化因子受体并治疗各种疾病、状况或障碍的方法，包括急性或慢性炎症性疾病、癌症和骨溶解性骨疾病。
• NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND
  申请人：Iijima Toru

  公开号：US20140011807A1

  公开（公告）日：2014-01-09

  The present invention provides a nitrogen-containing saturated heterocyclic compound of the formula [I]: wherein R 1 is a cycloalkyl group and the like, R 22 is an optionally substituted aryl and the like, R is a lower alkyl and the like, T is a carbonyl group, Z is —O— and the like, and R 3 to R 6 are the same or different and a hydrogen atom and the like; or a pharmaceutically acceptable salt, that is useful as a renin inhibitor.

  本发明提供了一种含氮饱和杂环化合物，化学式为[I]，其中R1是环烷基等，R2是可选取代的芳基等，R是低碳基等，T是羰基，Z是- O-等，R3至R6相同或不同，是氢原子等；或药学上可接受的盐，用作肾素抑制剂。