(E)-3-(3-chlorophenyl)-1-cyclopropylprop-2-en-1-one | 268221-60-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(3-chlorophenyl)-1-cyclopropylprop-2-en-1-one
• 英文别名: trans-3-(3 '-chlorophenyl)-1-cyclopropyl-2-propen-1-one；1-cyclopropyl-3-(m-chlorophenyl)prop-2-en-1-one
• CAS: 268221-60-9
• 化学式: C₁₂H₁₁ClO
• 分子量: 206.672
• InChiKey: HBYNZTAHWAWILN-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  (E)-3-(3-chlorophenyl)-1-cyclopropylprop-2-en-1-one 在 甲醇 、 sodium tetrahydroborate 作用下， 生成 (E)-3-(3-chlorophenyl)-1-cyclopropylprop-2-en-1-ol
  参考文献：
  名称：

  钌酰胺基配合物催化环烷基乙烯基酮不对称转移加氢成烯丙基醇

  摘要：

  描述了经由不对称转移氢化的对环烷基乙烯基酮的化学选择性1，2-还原。在温和条件下，使用手性二胺钌配合物作为催化剂，同时使用HCOOH-NEt 3共沸物作为氢源和溶剂，还原过程顺利进行。以良好的产率和高达87％的ee获得了广泛的1-环烷基手性烯丙基醇。发现烷基在对映选择性中起重要作用。

  DOI：

  10.1039/c8ob02604a
• 作为产物：
  描述：

  3-氯苯甲醛 生成 (E)-3-(3-chlorophenyl)-1-cyclopropylprop-2-en-1-one
  参考文献：
  名称：

  Pyrrolidine derivatives

  摘要：

  该发明提供了以下结构的化合物：其中R和R'为氢、卤素、烷基、烷氧基、三卤甲基或羟基，或它们一起形成亚甲二氧基；R"为氢或甲基；R"'为氢、烷基、苄基、丙炔基或羟乙基，或其盐。这些化合物可用作压食或兴奋剂。

  公开号：

  US04005103A1

文献信息

• Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides
  申请人：Rohm and Haas Company

  公开号：US06063956A1

  公开（公告）日：2000-05-16

  Compounds with fungicidal and insecticidal properties having formula ##STR1## wherein X is N or CH; Z is O, S or NR.sub.8 ; A is hydrogen, halo, cyano, (C.sub.1 -C.sub.12)alkyl, or (C.sub.1 -C.sub.12)alkoxy; R.sub.1 and R.sub.8 are independently hydrogen or (C.sub.1 -C.sub.4)alkyl; R.sub.2 is hydrogen, (C.sub.1 -C.sub.12)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, aryl, aralkyl, heterocyclic, heterocyclic(C.sub.1 -C.sub.4)alkyl or C(R.sub.10).dbd.N--OR.sub.9 ; R.sub.3 is hydrogen, (C.sub.1 -C.sub.12)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, aryl, aralkyl, aryl(C.sub.3 -C.sub.7)cycloalkyl, heterocyclic or heterocyclic(C.sub.1 -C.sub.4)alkyl; R.sub.4 and R.sub.5 are independently hydrogen, (C.sub.1 -C.sub.12)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, halo, cyano, (C.sub.1 -C.sub.4)alkoxycarbonyl, aryl, aralkyl, aryl(C.sub.3 -C.sub.7)cycloalkyl, heterocyclic or heterocyclic(C.sub.1 -C.sub.4)alkyl; R.sub.6 is hydrogen, (C.sub.1 -C.sub.12)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, halo, cyano, (C.sub.1 -C.sub.4)alkoxycarbonyl, aryl, aralkyl, aryl(C.sub.3 -C.sub.7)cycloalkyl, heterocyclic or heterocyclic(C.sub.1 -C.sub.4)alkyl; R.sub.7 is aryl, aralkyl, heterocyclic or heterocyclic(C.sub.1 -C.sub.4)alkyl; R.sub.9 is hydrogen, (C.sub.1 -C.sub.12,)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, (C.sub.1 -C.sub.4)alkylcarbonyl, (C.sub.1 -C.sub.4)alkoxycarbonyl, aryl, or aralkyl; and R.sub.10 is hydrogen, (C.sub.1 -C.sub.12)alkyl, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.8)alkenyl, halo(C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl, halo(C.sub.2 -C.sub.8)alkynyl, aryl, aralkyl, heterocyclic, or heterocyclic(C.sub.1 -C.sub.4)alkyl.

  具有杀菌和杀虫性质的化合物的化学式为##STR1##其中X为N或CH；Z为O，S或NR.sub.8；A为氢，卤素，氰基，（C.sub.1-C.sub.12）烷基或（C.sub.1-C.sub.12）烷氧基；R.sub.1和R.sub.8分别为氢或（C.sub.1-C.sub.4）烷基；R.sub.2为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基，卤代（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，芳基，芳基烷基，杂环，杂环（C.sub.1-C.sub.4）烷基或C（R.sub.10）.dbd.N--OR.sub.9；R.sub.3为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基，卤代（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，芳基，芳基烷基，芳基（C.sub.3-C.sub.7）环烷基，杂环或杂环（C.sub.1-C.sub.4）烷基；R.sub.4和R.sub.5分别为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基，卤代（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，卤素，氰基，（C.sub.1-C.sub.4）烷氧羰基，芳基，芳基烷基，芳基（C.sub.3-C.sub.7）环烷基，杂环或杂环（C.sub.1-C.sub.4）烷基；R.sub.6为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基，卤代（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，卤素，氰基，（C.sub.1-C.sub.4）烷氧羰基，芳基，芳基烷基，芳基（C.sub.3-C.sub.7）环烷基，杂环或杂环（C.sub.1-C.sub.4）烷基；R.sub.7为芳基，芳基烷基，杂环或杂环（C.sub.1-C.sub.4）烷基；R.sub.9为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，（C.sub.1-C.sub.4）烷基羰基，（C.sub.1-C.sub.4）烷氧羰基，芳基或芳基烷基；R.sub.10为氢，（C.sub.1-C.sub.12）烷基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基，卤代（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.8）烯基，卤代（C.sub.2-C.sub.8）烯基，（C.sub.2-C.sub.8）炔基，卤代（C.sub.2-C.sub.8）炔基，芳基，芳基烷基，杂环或杂环（C.sub.1-C.sub.4）烷基。
• Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP1026151A1

  公开（公告）日：2000-08-09

  Compounds with fungicidal and insecticidal properties having formula wherein X is N or CH; Z is O, S or NR8; A is hydrogen, halo, cyano, (C1-C12)alkyl, or (C1-C12)alkoxy; R1 and R8 are independently hydrogen or (C1-C4)alkyl; R2 is hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, aryl, aralkyl, hererocyclic, hererocyclic(C1-C4)alkyl or C(R10)=N-OR9; R3 is hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, aryl, aralkyl, aryl(C3-C7)cycloalkyl, heterocyclic or heterocyclic(C1-C4)alkyl; R4 and R5 are independently hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, halo, cyano, (C1-C4)alkoxycarbonyl, aryl, aralkyl, aryl(C3-C7)cycloalkyl, heterocyclic or hererocyclic(C1-C4)alkyl; R6 is hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, halo, cyano, (C1-C4)alkoxycarbonyl, aryl, aralkyl, aryl(C3-C7)cycloalkyl, heterocyclic or hererocyclic(C1-C4)alkyl; R7 is aryl, aralkyl, heterocyclic or heterocyclic(C1-C4)alkyl; R9 is hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, (C1-C4)alkylcarbonyl, (C1-C4)alkoxycarbonyl, aryl, or aralkyl; and R10 is hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, aryl, aralkyl, heterocyclic, or heterocyclic(C1-C4)alkyl.

  具有杀菌和杀虫特性的化合物，其式为 其中 X 是 N 或 CH；Z 是 O、S 或 NR8；A 是氢、卤代、氰基、(C1-C12)烷基或(C1-C12)烷氧基；R1 和 R8 独立地是氢或(C1-C4)烷基；R2 是氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C3-C7)环烷基、卤代(C3-C7)环烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、芳基、芳烷基、异环烷基、异环(C1-C4)烷基或 C(R10)=N-OR9；R3 是氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C3-C7)环烷基、卤代(C3-C7)环烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、芳基、芳烷基、芳基(C3-C7)环烷基、杂环或杂环(C1-C4)烷基；R4 和 R5 独立地为氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C3-C7)环烷基、卤代(C3-C7)环烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、卤代、氰基、(C1-C4)烷氧基羰基、芳基、芳烷基、芳基(C3-C7)环烷基、杂环或杂环(C1-C4)烷基；R6 是氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C3-C7)环烷基、卤代(C3-C7)环烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、卤代、氰基、(C1-C4)烷氧基羰基、芳基、芳烷基、芳基(C3-C7)环烷基、杂环或异环(C1-C4)烷基；R7 是芳基、芳烷基、杂环基或杂环（C1-C4）烷基；R9 是氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、(C1-C4)烷基羰基、(C1-C4)烷氧基羰基、芳基或芳烷基；R10 是氢、(C1-C12)烷基、卤代(C1-C12)烷基、(C3-C7)环烷基、卤代(C3-C7)环烷基、(C2-C8)烯基、卤代(C2-C8)烯基、(C2-C8)炔基、卤代(C2-C8)炔基、芳基、芳烷基、杂环基或杂环(C1-C4)烷基。
• US6063956A
  申请人：——

  公开号：US6063956A

  公开（公告）日：2000-05-16