3,3-dimethyl-2-methylene-1-ethoxycarbonylmethyl-2,3-dihydro-1H-indole | 35807-07-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,3-dimethyl-2-methylene-1-ethoxycarbonylmethyl-2,3-dihydro-1H-indole
• 英文别名: (3,3-dimethyl-2-methylene-2,3-dihydro-indol-1-yl)-acetic acid ethyl ester；1-Carbaethoxymethyl-3,3-dimethyl-2-methylenindolin；1-Carbethoxymethyl-2-methylen-3,3-dimethylindolin；Ethyl 2-(3,3-dimethyl-2-methylideneindol-1-yl)acetate
• CAS: 35807-07-9
• 化学式: C₁₅H₁₉NO₂
• 分子量: 245.321
• InChiKey: MUYXLKOZOFMOBF-UHFFFAOYSA-N

物化性质

• 沸点：
  333.8±42.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-2-methylene-1-ethoxycarbonylmethyl-2,3-dihydro-1H-indole 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.33h， 以72.2%的产率得到9,9,9a-trimethyl-2,3,9,9a-tetrahydrooxazolo[3,2-a]indole
  参考文献：
  名称：

  Alkylation of 1,2,3,9a-tetrahydro-9H-imidazo[1,2-a]indol-2-ones

  摘要：

  DOI：

  10.1007/bf00475563
• 作为产物：
  描述：

  9,9,9a-trimethyl-2-ethoxy-9,9a-dihydro-3H-imidazo<1,2-a>indole 在 盐酸 作用下， 以 丙酮 为溶剂， 以61%的产率得到3,3-dimethyl-2-methylene-1-ethoxycarbonylmethyl-2,3-dihydro-1H-indole
  参考文献：
  名称：

  Alkylation of 1,2,3,9a-tetrahydro-9H-imidazo[1,2-a]indol-2-ones

  摘要：

  DOI：

  10.1007/bf00475563

文献信息

• Dye including an anchoring group in its molecular structure
  申请人：Fuhrmann Gerda

  公开号：US08440840B2

  公开（公告）日：2013-05-14

  A dye including an anchoring group in its molecular structure, said anchoring group allowing a covalent coupling of said dye to a surface, for example a surface of a nanoporous semiconductor layer, said anchoring group being represented by formula 1 wherein attachment of said anchoring group within said molecular structure of said dye is at the terminal carbon marked with an asterisk in above formula, wherein G is selected from —COOH, —SO3H, —PO3H2, —BO2H2, —SH, —OH, —NH2, preferably —COOH, wherein A is selected from the group comprising H, —CN, —NO2, —COOR, —COSR, —COR, —CSR, —NCS, —CF3, —CONR2-OCF3, C6H5-mFm, wherein m=1-5, R being H or any straight or branched alkyl chain of general formula —CnH2n+I, n=O-12, preferably 0-4, or any substituted or non-substituted phenyl or biphenyl.

  分子结构中包括一个锚定基团的染料，所述锚定基团允许将所述染料共价耦合到表面，例如纳米多孔半导体层的表面，所述锚定基团由下式表示，其中所述锚定基团在上述式中标有星号的末端碳上附着，其中G选自—COOH、—SO3H、—PO3H2、—BO2H2、—SH、—OH、—NH2，优选—COOH，其中A选自包括H、—CN、—NO2、—COOR、—COSR、—COR、—CSR、—NCS、—CF3、—CONR2-OCF3、C6H5-mFm的基团，其中m=1-5，R为H或一般式—CnH2n+I的任何直链或支链烷基链，n=0-12，优选0-4，或任何取代或未取代的苯或联苯。
• [EN] TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS CONTAINING A N-ACETYLAMIDO OR N- ACETYLESTER SIDE CHAIN<br/>[FR] INDICATEUR TEMPS-TEMPÉRATURE COMPRENANT DES SPIROPYRANES À BASE D'INDOLÉNINE CONTENANT UNE CHAÎNE LATÉRALE N-ACÉTYLAMIDO OU N-ACÉTYLESTER
  申请人：BASF SE

  公开号：WO2009141237A1

  公开（公告）日：2009-11-26

  The present invention relates to time-temperature indicator (TTI) systems comprising indolenin based spiropyrans containing a N-acetylamido or N-acetylester side chain, especially to a time temperature indicator comprising at least one spiropyran indicator of formula (I) Wherein R1 is hydrogen, -C1-C18 alkoxy, -C1-C18 alkylthio, -C1-C18 alkyl-SO-, -C1C18 alkyl-SO2-, phenylthio, phenyl, halogen, -C1-C18 alkylthio, -C1-C18 alkyl-SO-, -C1-C18 alkyl-SO2-, phenylthio, phenyl, halogen, -C1-C18 alkyl or -NO2; R2 is hydrogen or -C1-C18 alkoxy; R3 is NO2 or halogen; R4 is hydrogen, -C1-C18 alkoxy or halogen; R5 is hydrogen, halogen, -C1-C18 alkoxy, -COOH, -COO-C1-C18alkyl, -CF3 or phenyl; R6 is hydrogen or R6 and R7 form together a phenyl ring; R7 is hydrogen; Ra is hydrogen or -C1-C6 alkyl; Rb is hydrogen or -C1-C6 alkyl, or together with Ra form a 5-6 membered ring; Y is -CH2-COO-R8 or -CH2-CO-N(R10)-R9; or CH2-CO-N(R1O)-L-N(R10) CO-CH2- or Y is -CH2-CO-O-L'-O-CO-CH2- wherein R8 is hydrogen, C3-C18alkyl or R8 is ethyl with the proviso that R6 and R7 form together a phenyl ring; R9 is phenyl, mesityl, phenyl-O-phenyl, phenyl-S-phenyl, phenyl once or more than once substituted by halogen, -CF3, C1-C6alkyl, -C1-C6 alkoxy, carboxy, -COO-C1-C6alkyl whereby in case of a more than once substitution, the substituent can be the same or different; R10 is hydrogen, C1-C18alkyl; L is 1,3 phenylene or 1,4 phenylene wherein the phenylene linker is optionally substituted by once or more than once by halogen, -CF3, C1-C18 alkoxy, carboxy, -COO-C1-C18alkyl, -CONH2, -CON(C1-C18alkyl)2, nitro; or L is naphthalene, biphenylene or phenylene-O-phenylene wherein the naphthalene, biphenylene or phenylene-O-phenylene linker is optionally substituted once or more than once by halogen, -CF3, C1-C18alkyl, -C1-C18 alkoxy, carboxy, -COO-C1-C18alkyl, -CONH2, -CON(C1-C18alkyl)2, nitro; L' is 1,3 phenylene or 1,4 phenylene wherein the phenylene linker is optionally substituted by once or more than once by halogen, CF3, C1-C18alkyl, -C1-C18 alkoxy, carboxy, -COO-C1-C18alkyl, -CON(C1-C18alkyl)2, nitro; or L is naphthalene, biphenylene-O-phenylene wherein the naphtalene, biphenylene or phenylene-O-phenylene linker is optionally substituted once or more than once by halogen, -CF3, C1-C18alkyl, - C1-C18 alkoxy, carboxy, -COO-C1-C18alkyl, -CONH2, - CON(C1-C18alkyl)2, nitro.

  本发明涉及一种时间温度指示器（TTI）系统，其中包括含有N-乙酰氨基或N-乙酰酯侧链的吲哚啉基螺环吡喃，特别是包括至少一种公式（I）的螺环吡喃指示器的时间温度指示器。其中，R1是氢、-C1-C18烷氧基、-C1-C18烷基硫醚、-C1-C18烷基-SO-、-C1-C18烷基-SO2-、苯硫醚、苯、卤素、-C1-C18烷基硫醚、-C1-C18烷基-SO-、-C1-C18烷基-SO2-、苯硫醚、苯、卤素、-C1-C18烷基或-NO2；R2是氢或-C1-C18烷氧基；R3是NO2或卤素；R4是氢、-C1-C18烷氧基或卤素；R5是氢、卤素、-C1-C18烷氧基、-COOH、-COO-C1-C18烷基、-CF3或苯；R6是氢或R6和R7共同形成苯环；R7是氢；Ra是氢或-C1-C6烷基；Rb是氢或-C1-C6烷基，或与Ra共同形成一个5-6成员环；Y是-CH2-COO-R8或-CH2-CO-N（R10）-R9；或CH2-CO-N（R1O）-L-N（R10）CO-CH2-或Y是-CH2-CO-O-L'-O-CO-CH2-其中R8是氢、C3-C18烷基或R8是乙基，条件是R6和R7共同形成苯环；R9是苯、二甲苯、苯-O-苯、苯-S-苯、苯经一次或多次取代的卤素、-CF3、C1-C6烷基、-C1-C6烷氧基、羧基、-COO-C1-C6烷基，其中在多次取代的情况下，取代基可以相同也可以不同；R10是氢、C1-C18烷基；L是1,3-苯撑基或1,4-苯撑基，其中苯撑基可以选择地经一次或多次取代为卤素、-CF3、C1-C18烷氧基、羧基、-COO-C1-C18烷基、-CONH2、-CON（C1-C18烷基）2、硝基；或L是萘、联苯基或苯-O-苯，其中萘、联苯基或苯-O-苯连接基可以选择地经一次或多次取代为卤素、-CF3、C1-C18烷基、-C1-C18烷氧基、羧基、-COO-C1-C18烷基、-CONH2、-CON（C1-C18烷基）2、硝基；L'是1,3-苯撑基或1,4-苯撑基，其中苯撑基可以选择地经一次或多次取代为卤素、CF3、C1-C18烷基、-C1-C18烷氧基、羧基、-COO-C1-C18烷基、-CON（C1-C18烷基）2、硝基；或L是萘、联苯-O-苯，其中萘、联苯基或苯-O-苯连接基可以选择地经一次或多次取代为卤素、-CF3、C1-C18烷基、-C1-C18烷氧基、羧基、-COO-C1-C18烷基、-CONH2、-CON（C1-C18烷基）2、硝基。
• DNA-Templated Synthesis of Trimethine Cyanine Dyes: A Versatile Fluorogenic Reaction for Sensing G-Quadruplex Formation
  作者：Kamel Meguellati、Girish Koripelly、Sylvain Ladame

  DOI：10.1002/anie.201000291

  日期：2010.4.1

  A healthy glow: Fluorogenic peptide nucleic acids (PNAs) functionalized with indoline derivatives are used to specifically sense G‐quadruplex formation. Upon hybridization of both PNAs to the single‐stranded flanking arms of quadruplex DNA (see scheme), the synthesis of a trimethine cyanine dye is templated. Dye formation can be detected by the appearance of a characteristic fluorescence signal.

  健康的光芒：用二氢吲哚衍生物功能化的荧光肽核酸（PNA）用于特异性感知G-四链体的形成。将两个PNA与四链DNA的单链侧翼臂杂交后（参见方案），将三甲胺菁染料的合成作为模板。染料的形成可以通过特征性荧光信号的出现来检测。
• DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE
  申请人：Fuhrmann Gerda

  公开号：US20100212737A1

  公开（公告）日：2010-08-26

  A dye including an anchoring group in its molecular structure, said anchoring group allowing a covalent coupling of said dye to a surface, for example a surface of a nanoporous semiconductor layer, said anchoring group being represented by formula 1 wherein attachment of said anchoring group within said molecular structure of said dye is at the terminal carbon marked with an asterisk in above formula, wherein G is selected from —COOH, —SO3H, —PO3H2, —BO2H2, —SH, —OH, —NH2, preferably —COOH, wherein A is selected from the group comprising H, —CN, —NO2, —COOR, —COSR, —COR, —CSR, —NCS, —CF3, —CONR2-OCF3, C6H5-mFm, wherein m=1-5, R being H or any straight or branched alkyl chain of general formula —CnH2 n +I, n=O-12, preferably 0-4, or any substituted or non-substituted phenyl or biphenyl.

  一种染料，其分子结构中包括一个锚定基团，该锚定基团允许将该染料共价耦合到表面，例如纳米多孔半导体层的表面。该锚定基团由公式1表示，其中上述公式中带星号的末端碳上的锚定基团连接在该染料的分子结构内。其中G从—COOH，—SO3H，—PO3H2，—BO2H2，—SH，—OH，—NH2中选择，优选为—COOH。其中A从H，—CN，—NO2，—COOR，—COSR，—COR，—CSR，—NCS，—CF3，—CONR2-OCF3，C6H5-mFm中选择，其中m=1-5，R为H或一般式—CnH2n+I的任何直链或支链烷基链，n=0-12，优选为0-4，或任何取代或未取代的苯基或联苯基。
• A dye including an anchoring group in its molecular structure
  申请人：Sony Corporation

  公开号：EP2112671A1

  公开（公告）日：2009-10-28

  The present invention relates to a dye including an anchoring group in its structure, to a method of synthesis of such dye, to an electronic device comprising such dye, and to uses of such dye.

  本发明涉及一种在其结构中包含锚定基团的染料、这种染料的合成方法、包含这种染料的电子设备以及这种染料的用途。