(2-Acetyl-4-propan-2-ylphenyl) 2-methoxypropanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-Acetyl-4-propan-2-ylphenyl) 2-methoxypropanoate
• 英文别名: (2-acetyl-4-propan-2-ylphenyl) 2-methoxypropanoate
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.32
• InChiKey: BYZNEJPNRJQIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Improved fuel markers
  申请人：Inter-Euro Technology Limited

  公开号：EP2738154A1

  公开（公告）日：2014-06-04

  There is provided a compound comprising the general structure (I) in which, X is N or O; R3 is OR4 or R4; wherein when X is N, R1 is H, R5 or OR6; R2 is OC(O)R7; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein when X is O, R2 is absent; R1 is H, R5 or OR6, CH(OR8)R9; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein R5, R6, R7, R8, R9, and R10 are independently selected from linear or branched C1-C20 alkyl or OH; and R' is independently selected from linear or branched C1-C20 alkyl, or may together form a cyclic aliphatic ring having from 2 to 40 carbon atoms.

  提供一种化合物，包括通用结构（I），其中X为N或O；R3为OR4或R4；当X为N时，R1为H，R5或OR6；R2为OC（O）R7；R4为R5、OR5或芳基，该芳基未被取代或被取代至少一个R5或OR6、OC（O）R7、C（O）R8、OR9、C（H）（OR'）2或C（R10）（OR'）2；当X为O时，R2不存在；R1为H，R5或OR6，CH（OR8）R9；R4为R5、OR5或芳基，该芳基未被取代或被取代至少一个R5或OR6、OC（O）R7、C（O）R8、OR9、C（H）（OR'）2或C（R10）（OR'）2；其中R5、R6、R7、R8、R9和R10独立地选择自直链或支链的C1-C20烷基或OH；R'独立地选择自直链或支链的C1-C20烷基，或可共同形成具有2-40个碳原子的环状脂肪环。
• [EN] IMPROVED FUEL MARKERS<br/>[FR] MARQUEURS DE COMBUSTIBLE AMÉLIORÉS
  申请人：INTER EURO TECHNOLOGY LTD

  公开号：WO2014083186A2

  公开（公告）日：2014-06-05

  There is provided a compound comprising the general structure (I) in which, X is N or O; R3 is OR4 or R4; wherein when X is N, R1 is H, R5 or OR6; R2 is OC(O)R7; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein when X is O, R2 is absent; R1 is H, R5 or OR6, CH(OR8)R9; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein R5, R6, R7, R8, R9, and R10 are independently selected from linear or branched C1–C20 alkyl or OH; and R' is independently selected from linear or branched C1–C20 alkyl, or may together form a cyclic aliphatic ring having from 2 to 40 carbon atoms.