乙基3-(3-吗啉基)丙酸酯 | 885274-01-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 乙基3-(3-吗啉基)丙酸酯
• 英文名称: 3-Morpholin-3-YL-propionic acid ethyl ester
• 英文别名: ethyl 3-morpholin-3-ylpropanoate
• CAS: 885274-01-1
• 化学式: C₉H₁₇NO₃
• mdl: MFCD04114897
• 分子量: 187.24
• InChiKey: DCRCNUFQCGVRGV-UHFFFAOYSA-N

物化性质

• 沸点：
  262.3±15.0 °C(Predicted)
• 密度：
  1.017±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Substituted Rylene Derivatives
  申请人：Konemann Martin

  公开号：US20080167467A1

  公开（公告）日：2008-07-10

  Rylene derivatives of the general formula I in which the variables are each defined as follows: Rylene is a polycyclic conjugated ring system which comprises at least one perylene unit may comprise heteroatoms as ring atoms, may be functionalized by moieties comprising —CO— groups and/or may bear further substituents other than the A radicals; A is a radical of the formula X is oxygen or sulfur; R are identical or different radicals: optionally substituted alkyl, cycloalkyl, aryl, hetaryl, —U-aryl where U is an —O—, —S—, —NR 2 —, —CO—, —SO— or —SO 2 — moiety, or C 1 -C 12 -alkoxy, C 1 -C 6 -alkylthio, —C≡CR 2 , —CR 2 ═CR 2 2 , hydroxy, mercapto, halogen, cyano, nitro, —NR 3 R 4 , —NR 3 COR 4 , —CONR 3 R 4 , —SO 2 NR 3 R 4 , —COOR 3 or —SO 3 R 3 ; R′ are identical or different radicals: hydrogen or one of the R radicals; R 2 is hydrogen or alkyl, where the R 2 radicals may be the same or different when they occur more than once; R 3 , R 4 are each independently hydrogen; optionally substituted alkyl, aryl or hetaryl; n is from 1 to 8.

  该公式的Rylene衍生物为I，其中变量的定义如下： Rylene是一个多环共轭环系统，包括至少一个苝并单元，可能包含杂原子作为环原子，可能被含有—CO—基团的基团所官能化，或者可能带有除A基团以外的其他取代基； A是公式的基团； X是氧或硫； R是相同或不同的基团：可选取代的烷基、环烷基、芳基、杂芳基、—U-芳基，其中U是—O—、—S—、—NR2—、—CO—、—SO—或—SO2—基团，或C1-C12-烷氧基、C1-C6-烷基硫基、—C≡CR2、—CR2═CR22、羟基、巯基、卤素、氰基、硝基、—NR3R4、—NR3COR4、—CONR3R4、—SO2NR3R4、—COOR3或—SO3R3； R′是相同或不同的基团：氢或R基团之一； R2是氢或烷基，当它们出现多次时，R2基团可以相同或不同； R3、R4各自独立地为氢；可选取代的烷基、芳基或杂芳基； n为1至8。
• DURCH CYCLISCHE AMINOGRUPPEN SUBSTITUIERTE RYLENTETRACARBONS[UREDIIMIDE
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1819678A1

  公开（公告）日：2007-08-22
• SUBSTITUIERTE RYLENDERIVATE
  申请人：BASF SE

  公开号：EP1904497A1

  公开（公告）日：2008-04-02
• VERWENDUNG VON RYLENEN ALS MARKIERUNGSMITTEL FÜR FLÜSSIGKEITEN
  申请人：BASF SE

  公开号：EP2007857A1

  公开（公告）日：2008-12-31
• Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups
  申请人：Konemann Martin

  公开号：US20090124732A1

  公开（公告）日：2009-05-14

  Rylenetetracarboximides of the general formula I in which the variables are each defined as follows: R, R′ are each independently hydrogen; optionally substituted C 1 -C 30 -alkyl, C 3 -C 8 -cycloalkyl, aryl or hetaryl; R 1 is hydrogen or C 1 -C 6 -alkyl; R 2 , R 3 are each independently hydrogen; optionally substituted C 1 -C 18 -alkyl, aryl or hetaryl; A is a 5- to 9-membered ring which is bonded via a nitrogen atom and whose carbon chain may be interrupted by one or more —O—, —S—, —NR 1 —, —CO— and/or —SO 2 — moieties, to which one or two unsaturated or saturated 4 - to 8 -membered rings may be fused, whose carbon chain may likewise be interrupted by these moieties and/or —N═, and the overall ring system may be mono- or polysubstituted, and where the A radicals may be the same or different when m>1; X is chlorine or bromine, and the X radicals may be the same or different when x>1; Z is optionally substituted C 3 -C 20 -alkyl, C 3 -C 20 -alken-2-yl, C 3 -C 20 -alkyn-2-yl, aryloxy, arylthio, hetaryloxy or hetarylthio, where the Z radicals may be the same or different when z>1; m is 1 or 2, n is from 1 to 4 when m=1; is from 1 to 6 when m=2; x is from 0 to 3 when m=1, where n+x+z≦4, is from 0 to 5 when m=2, where n+x+z≦6; z is from 0 to 3 when m=1, where n+x+z≦4, is from 0 to 5 when m=2, where n+x+z≦6.