2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone | 219521-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone
• 英文别名: cyclopropyl-[2-(3-hydroxyphenyl)cyclopropyl]methanone
• CAS: 219521-18-3
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: PHCJXQYOLWDWRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(溴甲基)-alpha-(甲氧基亚甲基)苯乙酸甲酯 、 2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone 在 氢氧化钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以78%的产率得到methyl (E)-3-methoxy-2-trans-[2-(3-(2-(1-oxocycloprop-1-yl)cyclopropyl)phenoxymethyl)phenyl]-2-propenoate
  参考文献：
  名称：

  Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds

  摘要：

  具有杀菌和杀虫特性的化合物具有以下化学式：其中A为N或CH；V为O或NH；m和n为0和1的整数，且m+n为1；X独立地选择自氢、卤素、（C1-C4）烷基和（C1-C4）烷氧基；Z为NR5R6、OR5或CR7R8R9；而R、R1、R2、R3、R4、R5、R6、R7、R8和R9则不同。

  公开号：

  US06335367B1
• 作为产物：
  描述：

  1-cyclopropyl-3-(3-hydroxyphenyl)-2-propene-1-one 、 三甲基碘化亚砜 在 氢氧化钠 作用下， 以 二甲基亚砜 为溶剂， 反应 18.5h， 以64%的产率得到2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone
  参考文献：
  名称：

  Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds

  摘要：

  具有杀菌和杀虫特性的化合物具有以下化学式：其中A为N或CH；V为O或NH；m和n为0和1的整数，且m+n为1；X独立地选择自氢、卤素、（C1-C4）烷基和（C1-C4）烷氧基；Z为NR5R6、OR5或CR7R8R9；而R、R1、R2、R3、R4、R5、R6、R7、R8和R9则不同。

  公开号：

  US06335367B1
• 作为试剂：
  描述：

  sodium hydroxide 、 、 三甲基碘化亚砜 、 1-cyclopropyl-3-(3-hydroxyphenyl)-2-propene-1-one 在 氮 、 盐酸 、 乙醚 、 水 、 氯化钠 、 magnesium sulfate 、 2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone 作用下， 以 二甲基亚砜 为溶剂， 反应 18.5h， 以to afford 32 g of the title compound, 2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone的产率得到2-(3-hydroxyphenyl)cyclopropyl cyclopropyl ketone
  参考文献：
  名称：

  Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds

  摘要：

  具有杀真菌和杀虫性质的化合物具有以下结构式：其中A为N或CH；V为O或NH；m和n为整数0和1，m+n为1；X独立选择自氢、卤、(C1-C4)烷基和(C1-C4)烷氧基；Z为NR5R6、OR5或CR7R8R9；而R、R1、R2、R3、R4、R5、R6、R7、R8和R9有所不同。

  公开号：

  US06335367B1

文献信息

• Benzyloxy substituted aromatics and their use as fungicides and
  申请人：Rohm and Haas Company

  公开号：US05945557A1

  公开（公告）日：1999-08-31

  Compounds with fungicidal and insecticidal properties having formula ##STR1## wherein A is N or CH; V is O or NH; m and n are the integers 0 and 1, provided that m+n is 0 or 1; X is independently selected from hydrogen, halo, (C.sub.1 -C.sub.4)alkyl, and (C.sub.1 -C.sub.4)alkoxy; R is independently selected from hydrogen, (C.sub.1 -C.sub.12)alkyl, (C.sub.1 -C.sub.12)alkoxy, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.2 -C.sub.12)alkenyl, (C.sub.2 -C.sub.12)alkynyl, (C.sub.1 -C.sub.12)alkoxy(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.2 -C.sub.12)alkenyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.2 -C.sub.12)alkynyl, (C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.1 -C.sub.12)alkoxy(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.1 -C.sub.12)alkoxy(C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.12)alkenyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.12)alkynyl(C.sub.3 -C.sub.7)cycloalkyl, halo(C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.1 -C.sub.12)alkoxy(C.sub.2 -C.sub.12)alkenyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.1 -C.sub.12)alkoxy(C.sub.2 -C.sub.12)alkynyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.12)alkenyl(C.sub.3 -C.sub.7)cycloalkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.2 -C.sub.12)alkynyl(C.sub.3 -C.sub.7)cycloalkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.2 -C.sub.12)alkenyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.2 -C.sub.12)alkynyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkoxy(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkoxy(C.sub.1 -C.sub.12)alkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkoxy(C.sub.1 -C.sub.12)alkenyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.12)alkoxy(C.sub.1 -C.sub.12)alkynyl(C.sub.3 -C.sub.7)cycloalkyl, aryl, aralkyl, aryl(C.sub.3 -C.sub.7)cycloalkyl, aryl(C.sub.3 -C.sub.7)cycloalkyl(C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkylaryl, aryl(C.sub.1 -C.sub.4)alkyl(C.sub.3 -C.sub.7)cycloalkyl, heterocyclic, aryl(C.sub.1 -C.sub.4)alkylheterocyclic heterocyclic(C.sub.1 -C.sub.4)alkyl, heterocyclic(C.sub.3 -C.sub.7)cycloalkyl and R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are independently selected from hydrogen, halogen, (C.sub.1 -C.sub.12)alkyl, (C.sub.1 -C.sub.12)alkoxy, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.2 -C.sub.12)alkenyl, (C.sub.2 -C.sub.12)alkynyl, (C.sub.3 -C.sub.7)cycloalkyl, cyano, carboxy, (C.sub.1 -C.sub.4)alkoxycarbonyl, aryl, and when taken together R.sub.2 and R.sub.3 form a (C.sub.3 -C.sub.7)cycloalkyl ring, provided that when n=0 or 1 and m=0 R and R.sub.1 are not both hydrogen and when A is N and V is NH and n and m are both zero than R, R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are other than 1 to 3 substituents independently selected from halogen and (C.sub.1 -C.sub.4)alkyl.

  具有杀菌和杀虫特性的化合物，其化学式为## STR1##其中A为N或CH; V为O或NH; m和n为0和1的整数，前提是m+n为0或1; X独立选择自氢，卤素，（C.sub.1-C.sub.4）烷基和（C.sub.1-C.sub.4）烷氧基; R独立选择自氢，（C.sub.1-C.sub.12）烷基，（C.sub.1-C.sub.12）烷氧基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.2-C.sub.12）烯基，（C.sub.2-C.sub.12）炔基，（C.sub.1-C.sub.12）烷氧基（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.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷基，（C.sub.3-C.sub.7）环烷基（C.sub.2-C.sub.12）烯基，（C.sub.3-C.sub.7）环烷基（C.sub.2-C.sub.12）炔基，（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基，（C.sub.1-C.sub.12）烷氧基（C.sub.3-C.sub.7）环烷基，（C.sub.1-C.sub.12）烷氧基（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.12）烯基（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.12）炔基（C.sub.3-C.sub.7）环烷基，卤代（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基，（C.sub.1-C.sub.12）烷氧基（C.sub.2-C.sub.12）烯基（C.sub.3-C.sub.7）环烷基，（C.sub.1-C.sub.12）烷氧基（C.sub.2-C.sub.12）炔基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.3-C.sub.7）环烷基，（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.12）烯基（C.sub.3-C.sub.7）环烷基（C.sub.3-C.sub.7）环烷基，（C.sub.2-C.sub.12）炔基（C.sub.3-C.sub.7）环烷基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.2-C.sub.12）烯基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.2-C.sub.12）炔基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷氧基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷氧基（C.sub.1-C.sub.12）烷基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷氧基（C.sub.1-C.sub.12）烯基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基（C.sub.1-C.sub.12）烷氧基（C.sub.1-C.sub.12）炔基（C.sub.3-C.sub.7）环烷基，芳基，芳基烷基，芳基（C.sub.3-C.sub.7）环烷基，芳基（C.sub.3-C.sub.7）环烷基（C.sub.3-C.sub.7）环烷基，（C.sub.3-C.sub.7）环烷基芳基，芳基（C.sub.1-C.sub.4）烷基（C.sub.3-C.sub.7）环烷基，杂环，芳基（C.sub.1-C.sub.4）烷基杂环，杂环（C.sub.1-C.sub.4）烷基，杂环（C.sub.3-C.sub.7）环烷基和R.sub.1，R.sub.2，R.sub.3和R.sub.4独立选择自氢，卤素，（C.sub.1-C.sub.12）烷基，（C.sub.1-C.sub.12）烷氧基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.2-C.sub.12）烯基，（C.sub.2-C.sub.12）炔基，（C.sub.3-C.sub.7）环烷基，氰基，羧基，（C.sub.1-C.sub.4）烷氧基羧基，芳基，当R.sub.2和R.sub.3在一起形成（C.sub.3-C.sub.7）环烷基环时，独立选择自氢，卤素，（C.sub.1-C.sub.12）烷基，（C.sub.1-C.sub.12）烷氧基，卤代（C.sub.1-C.sub.12）烷基，（C.sub.2-C.sub.12）烯基，（C.sub.2-C.sub.12）炔基，（C.sub.3-C.sub.7）环烷基，氰基，羧基，（C.sub.1-C.sub.4）烷氧基羧基，芳基，但当n=0或1且m=0时，R和R.sub.1不同时为氢，且当A为N且V为NH且n和m均为零时，R，R.sub.1，R.sub.2，R.sub.3和R.sub.4除了卤素和（C.sub.1-C.sub.4）烷基以外，均为其他1到3个取代基。
• Benzyloxy substituted aromatics and their use as fungicides and insecticides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0889024B1

  公开（公告）日：2000-09-13
• US5945557A
  申请人：——

  公开号：US5945557A

  公开（公告）日：1999-08-31
• US6335367B1
  申请人：——

  公开号：US6335367B1

  公开（公告）日：2002-01-01