2,2-dimethyl-5-methoxy-1-tetralone | 21568-64-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2,2-dimethyl-5-methoxy-1-tetralone
• 英文别名: 5-methoxy-2,2-dimethyl-3,4-dihydro-2H-naphthalen-1-one；5-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one；5-methoxy-2,2-dimethyl-1-tetralone；2,2-Dimethyl-5-methoxy-tetralon-(1)；5-Methoxy-2,2-dimethyl-1-tetralon；5-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one
• CAS: 21568-64-9
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: YWUBEKRQGPYUAV-UHFFFAOYSA-N

物化性质

• 熔点：
  44-45 °C
• 沸点：
  325.7±31.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  2,2-dimethyl-5-methoxy-1-tetralone 在 palladium on activated charcoal 甲烷磺酸 、 氢气 、 溶剂黄146 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 36.0h， 以100%的产率得到1,2,3,4-tetrahydro-5-methoxy-2,2-dimethylnaphthalene
  参考文献：
  名称：

  Anti-AIDS agents 72. Bioisosteres (7-carbon-DCKs) of the potent anti-HIV lead DCK

  摘要：

  Three 9, 10-di- O-(-)-camphanoyl-7,8,9, 10-tetrahyd to -benzo [h]chromen-2- one (7-carbon-DCK) analogs (3a-C) were synthesized and evaluated for inhibition of HIV-1 replication in H9 lymphocytes. All three new carbon bioisosteres of the anti-HIV lead DCK showed anti-HIV activity. Compound 3a had an EC50 value of 0.068 pM, which was comparable to that of DCK in the same assay. The preliminary results indicated that 7-carbon-DCK analogs merit attention as potential HIV-1 inhibitors for further development into clinical trials candidates. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.026
• 作为产物：
  描述：

  5-甲氧基-3,4-二氢-2H-1-萘酮 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-dimethyl-5-methoxy-1-tetralone
  参考文献：
  名称：

  1-四氢萘酮和相关化合物的一些烷基化和格氏反应

  摘要：

  描述了产生2-单烷基-和2，2-二烷基-1-四氢萘酮的简便途径。各种1-（氨基烷基）-3，4-二氢萘和1-（氨基亚烷基）-1，2，3，4-四氢萘是通过在适当的1-四氢萘酮上进行格氏反应的方法制备的。报道了使用4-苯并二氢吡喃酮和相关化合物的类似实验。

  DOI：

  10.1039/j39690000217

文献信息

• Some alkylation and Grignard reactions with 1-tetralones and related compounds
  作者：P. J. Hattersley、I. M. Lockhart、M. Wright

  DOI：10.1039/j39690000217

  日期：——

  2-monoalkyl- and 2,2-dialkyl-1-tetralones are described. Various 1-(aminoalkyl)-3,4-dihydronaphthalenes and 1-(aminoalkylidene)-1,2,3,4-tetrahydronaphthalenes have been prepared by routes involving a Grignard reaction on the appropriate 1-tetralone. Similar experiments with 4-chromanone and related compounds are reported.

  描述了产生2-单烷基-和2，2-二烷基-1-四氢萘酮的简便途径。各种1-（氨基烷基）-3，4-二氢萘和1-（氨基亚烷基）-1，2，3，4-四氢萘是通过在适当的1-四氢萘酮上进行格氏反应的方法制备的。报道了使用4-苯并二氢吡喃酮和相关化合物的类似实验。
• 8'-[(3-Amino-2-hydroxy-propoxy)]-spiro-[cyclopentane-1,2'(1
  申请人：Sandoz Ltd.

  公开号：US04411913A1

  公开（公告）日：1983-10-25

  Compounds of formula I ##STR1## wherein (i) m is O, n is 2 and p is 1 or (ii) m is 0 or 1, n is 1, and p is 1 or (iii) m is 1, n is 1 or 2 and p is 0, R.sub.1 is (i) alkyl of 3 to 7 carbon atoms or (ii) phenylalkyl, phenoxyalkyl or phenylthioalkyl of 8 to 11 carbon atoms in the aggregate thereof and wherein the phenyl ring is separated by at least 2 carbon atoms from the nitrogen atom to which R.sub.1 is bound and wherein the phenyl ring is unsubstituted, or mono-substituted by, or independently disubstituted by, alkyl or alkoxy of 1 to 4 carbon atoms, halogen of atomic number from 9 to 35, trifluoromethyl or cyano, R.sub.2 and R.sub.3 are either together straight chain alkylene of 4 to 6 carbon atoms, or, independently, hydrogen or alkyl of 1 to 4 carbon atoms, with the proviso that when m is 1, n is 1 and p is 0 then at least one of R.sub.2 and R.sub.3 is other than hydrogen, and R.sub.4 and R.sub.5 are, independently, hydrogen or alkyl of 1 to 4 carbon atoms, are useful in the treatment of coronary disorders.

  化合物的式子为I##STR1##其中(i) m为O，n为2，p为1或(ii) m为0或1，n为1，p为1或(iii) m为1，n为1或2，p为0，R.sub.1为(i) 3至7个碳原子的烷基或(ii) 总共为8到11个碳原子的苯基烷基，苯氧基烷基或苯硫基烷基，其中苯环与R.sub.1结合的氮原子至少隔着2个碳原子，并且苯环未被取代，或者被单独取代或独立二取代，取代基为1至4个碳原子的烷基或烷氧基，原子序数为9至35的卤素，三氟甲基或氰基，R.sub.2和R.sub.3要么一起是4至6个碳原子的直链烷基，要么独立是氢或1至4个碳原子的烷基，但当m为1，n为1，p为0时，R.sub.2和R.sub.3中至少有一个不是氢，R.sub.4和R.sub.5独立地为氢或1至4个碳原子的烷基。这些化合物在治疗冠状动脉疾病方面是有用的。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors
  申请人：Ahmed Gulzar

  公开号：US20120165519A1

  公开（公告）日：2012-06-28

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。式I或II的化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。
• WO2008/51547
  申请人：——

  公开号：——

  公开（公告）日：——