3-tert-butyl-1-indanone | 50438-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 3-tert-butyl-1-indanone
• 英文别名: 3-t-butyl-1-indanone；3-tert-butylindan-1-one；3-t-Butyl-1-indanon；3-tert-Butyl-indan-1-on；3-Tert-butyl-2,3-dihydroinden-1-one
• CAS: 50438-04-5
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: ZPEOUEJPZKBTMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-1-indanone 在 对甲苯磺酸 、 magnesium 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 3-tert-butyl-1-phenylindene
  参考文献：
  名称：

  Mechanisms for interconversions among C3H4 hydrocarbons: deuterium isotope effects and independent generation of vinylmethylene intermediates in photoisomerizations of allenes and cyclopropenes

  摘要：

  DOI：

  10.1021/ja00293a047
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氯化亚砜 作用下， 生成 3-tert-butyl-1-indanone
  参考文献：
  名称：

  The Reactions and Enolization of Cyclic Diketones. VII. 3-t-Butyl-1,2-diketo-hydrindene

  摘要：

  DOI：

  10.1021/ja01248a053

文献信息

• Inhibitors of cancer cell, T-cell and keratinocyte proliferation
  申请人：Leban Johann

  公开号：US20070037753A1

  公开（公告）日：2007-02-15

  The invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, wherein Y is —NR a R b , —NR c C═ONR a R b, —NR c C═SNR a R b , —NR c C═NR d N a R b , heterocycle, —C═ONR a R b , heterocycle, or aryl; n is 0 to 8; m is 0, or 1; r is 0 to 3; t is 0 to 3; X is O or N; Z is CH 2 , C═O, C═S or a single bond; Z 1 is CO—R 2 , CS—R 2 , (CH 2 ) t —R 2 or the side-chain of a naturally occuring amino acid;, Z 2 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 3 or the side-chain of a naturally occuring amino acid; Z 3 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 4 or the side-chain of a naturally occuring amino acid; Z 4 is H, alkyl, alkoxy, or cycloalkyl; R 1 , R 2 , R 3 , and R 4 are independently from each other H, OH, SH, NH 2 , CN, NO 2 , alkyl, cycloalkyl, heterocycloalkyl, haloalkyl, alkylthio, haloalkyloxy, hydroxyalkyl, hydroxyalkylamino, alkylamino, alkylaryl, alkylsulfinyl, alkylsulfonyl, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, alkoxyalkyl, alkoxy, aryloxy, heteroaryl, aryl, or halogen.

  该发明涉及一般式（I）化合物及其盐和生理功能衍生物， 其中 Y为—NR a R b ，—NR c C═ONR a R b， —NR c C═SNR a R b ，—NR c C═NR d N a R b ，杂环，—C═ONR a R b ，杂环或芳基；n为0至8；m为0或1；r为0至3；t为0至3；X为O或N； Z为CH 2 ，C═O，C═S或单键； Z 1 为CO—R 2 ，CS—R 2 ，（CH 2 ） t —R 2 或天然氨基酸的侧链；， Z 2 为CO—R 2 ，CS—R 2 或（CH 2 ） t —R 3 或天然氨基酸的侧链； Z 3 为CO—R 2 ，CS—R 2 或（CH 2 ） t —R 4 或天然氨基酸的侧链； Z 4 为H，烷基，烷氧基或环烷基； R 1 ，R 2 ，R 3 和R 4 彼此独立地为H，OH，SH，NH 2 ，CN，NO 2 ，烷基，环烷基，杂环烷基，卤代烷基，烷硫基，卤代烷氧基，羟基烷基，羟基氨基，烷基氨基，烷基芳基，烷基亚砜基，烷基砜基，烷硫基烷基，烷基亚砜基烷基，烷基砜基烷基，烷氧基烷基，烷氧基，芳氧基，杂芳基，芳基或卤素。
• Diaryl piperidines as CB1 modulators
  申请人：Scott D. Jack

  公开号：US20070203183A1

  公开（公告）日：2007-08-30

  A compound having the general structure of Formula (I): or a pharmaceutically acceptable salt, solvate, or ester thereof, are useful in treating diseases, disorders, or conditions such as metabolic syndrome (e.g., obesity, waist circumference, lipid profile, and insulin sensitivity), neuroinflammatory disorders, cognitive disorders, psychosis, addictive behavior, gastrointestinal disorders, and cardiovascular conditions.

  具有通式（I）的一种化合物，或其药学上可接受的盐、溶剂合物或酯，可用于治疗代谢综合征（例如肥胖、腰围、脂质谱和胰岛素敏感性）、神经炎症性疾病、认知障碍、精神病、成瘾行为、胃肠道疾病和心血管疾病等疾病、疾病或症状。
• Ozonolysis of a series of 1-substituted indenes. The substituent steric effects on the ozonide exo/endo ratios
  作者：Masahiro Miura、Masatomo Nojima、Shigekazu Kusabayashi、Kevin J. McCullough

  DOI：10.1021/ja00322a032

  日期：1984.5

  Ozonolyse d'une serie d'indenes disubstitues (-1,2 et -1,3) et trisubstitues (-1,2,3) dans CCl 4

  Ozonolyse d'une serie d'indenes dissubstitues (-1,2 et -1,3) et trisubstitues (-1,2,3) dans CCl 4
• Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation
  申请人：LEBAN Johann

  公开号：US20110263486A1

  公开（公告）日：2011-10-27

  The invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, wherein Y is —NR a R b , —NR c ═ONR a R b , —NR c C═SNR a R b , —NR c C═NR d N a R b , heterocycle, —C═ONR a R b , heterocycle, or aryl; n is 0 to 8; m is 0, or 1; r is 0 to 3; t is 0 to 3; X is O or N; Z is CH 2 , C═O, C═S or a single bond; Z 1 is CO—R 2 , CS—R 2 , (CH 2 ) t —R 2 or the side-chain of a naturally occurring amino acid; Z 2 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 3 or the side-chain of a naturally occurring amino acid; Z 3 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 4 or the side-chain of a naturally occurring amino acid; Z 4 is H, alkyl, alkoxy, or cycloalkyl; R 1 , R 2 , R 3 , and R 4 are independently from each other H, OH, SH, NH 2 , CN, NO 2 , alkyl, cycloalkyl, heterocycloalkyl, haloalkyl, alkylthio, haloalkyloxy, hydroxyalkyl, hydroxyalkylamino, alkylamino, alkylaryl, alkylsulfinyl, alkylsulfonyl, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, alkoxyalkyl, alkoxy, aryloxy, heteroaryl, aryl, or halogen.

  本发明涉及一般式（I）化合物及其盐和生理学功能衍生物，其中Y为—NRaRb，—NRc═ONRaRb，—NRcC═SNRaRb，—NRcC═NRdNaRb，杂环，—C═ONRaRb，杂环或芳基；n为0至8；m为0或1；r为0至3；t为0至3；X为O或N；Z为CH2，C═O，C═S或单键；Z1为CO—R2，CS—R2，（CH2）t—R2或天然氨基酸的侧链；Z2为CO—R2，CS—R2或（CH2）t—R3或天然氨基酸的侧链；Z3为CO—R2，CS—R2或（CH2）t—R4或天然氨基酸的侧链；Z4为H，烷基，烷氧基或环烷基；R1、R2、R3和R4独立地为H、OH、SH、NH2、CN、NO2、烷基、环烷基、杂环烷基、卤代烷基、烷硫基、卤代烷氧基、羟基烷基、羟基烷基氨基、烷基氨基、烷基芳基、烷基亚磺基、烷基磺酰基、烷硫基烷基、烷基亚磺基烷基、烷基磺酰基烷基、烷氧基烷基、烷氧基、芳氧基、杂环芳基、芳基或卤素。
• INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION
  申请人：Leban Johann

  公开号：US20090176716A1

  公开（公告）日：2009-07-09

  The invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, wherein Y is —NR a R b , —NR c C═ONR a R b , —NR c C═SNR a R b , —NR c C═NR d N a R b , heterocycle, —C═ONR a R b , heterocycle, or aryl; n is 0 to 8; m is 0, or 1; r is 0 to 3; t is 0 to 3; X is O or N; Z is CH 2 , C═O, C═S or a single bond; Z 1 is CO—R 2 , CS—R 2 , (CH 2 ) t —R 2 or the side-chain of a naturally occurring amino acid; Z 2 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 3 or the side-chain of a naturally occurring amino acid; Z 3 is CO—R 2 , CS—R 2 or (CH 2 ) t —R 4 or the side-chain of a naturally occurring amino acid; Z 4 is H, alkyl, alkoxy, or cycloalkyl; R 1 , R 2 , R 3 , and R 4 are independently from each other H, OH, SH, NH 2 , CN, NO 2 , alkyl, cycloalkyl, heterocycloalkyl, haloalkyl, alkylthio, haloalkyloxy, hydroxyalkyl, hydroxyalkylamino, alkylamino, alkylaryl, alkylsulfinyl, alkylsulfonyl, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, alkoxyalkyl, alkoxy, aryloxy, heteroaryl, aryl, or halogen.

  本发明涉及公式（I）的化合物及其盐和生理功能衍生物，其中Y为—NRaRb，—NRcC═ONRaRb，—NRcC═SNRaRb，—NRcC═NRdNaRb，杂环，—C═ONRaRb，杂环或芳基；n为0至8；m为0或1；r为0至3；t为0至3；X为O或N；Z为CH2，C═O，C═S或单键；Z1为CO—R2，CS—R2，（CH2）t—R2或天然氨基酸的侧链；Z2为CO—R2，CS—R2或（CH2）t—R3或天然氨基酸的侧链；Z3为CO—R2，CS—R2或（CH2）t—R4或天然氨基酸的侧链；Z4为H，烷基，烷氧基或环烷基；R1、R2、R3和R4独立地为H、OH、SH、NH2、CN、NO2、烷基、环烷基、杂环烷基、卤代烷基、烷硫基、卤代烷氧基、羟基烷基、羟基烷基氨基、烷基氨基、烷基芳基、烷基亚磺酰基、烷基磺酰基、烷硫基烷基、烷基亚磺酰基烷基、烷基磺酰基烷基、烷氧基烷基、烷氧基、芳氧基、杂环芳基、芳基或卤素。