3-(3-hydroxylphenyl)-1-methyl-5-phenyl-2-pyrazoline

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(3-hydroxylphenyl)-1-methyl-5-phenyl-2-pyrazoline
• 英文别名: 3-(3-hydroxyphenyl)-1-methyl-5-phenyl-2-pyrazoline；3-(2-methyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenol
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: XMCBANYOQFRGSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-hydroxylphenyl)-1-methyl-5-phenyl-2-pyrazoline 、 α-(2-(bromomethyl)phenyl)-β-methoxyacrylate 在 氢氧化钾 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到Methyl 3-methoxy-2-[2-(3-(1-methyl-5-phenyl-2-pyrazolin-3-yl)phenoxymethyl)phenyl] propenoate
  参考文献：
  名称：

  Benzyloxy substituted aromatics and their use as fungicides and insecticides

  摘要：

  公开号：

  EP0811614B1
• 作为产物：
  描述：

  (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one 、 甲基肼 以 乙醇 为溶剂， 以97%的产率得到3-(3-hydroxylphenyl)-1-methyl-5-phenyl-2-pyrazoline
  参考文献：
  名称：

  Benzyloxy substituted aromatics and their use as fungicides and

  摘要：

  具有杀菌和杀虫特性的化合物，其分子式为##STR1##其中A为N或CH；V为O或NH；m和n独立地为0和1，但要求m+n不为2，U和W独立地为O或N；当U和W都为N且n为0且m为1时，1和5原子之间的键为双键，C.sub.3-C.sub.4原子之间的键为单键或双键；当n为1且m为0时，2和3原子之间的键为双键，C.sub.4-C.sub.5原子之间的键为单键或双键；当U为O且W为N且n=m=0时，1和5原子之间的键为双键，C.sub.3-C.sub.4原子之间的键为单键或双键；当U为N且W为O且n=m=0时，2和3原子之间的键为双键，C.sub.4-C.sub.5原子之间的键为单键或双键；X独立地选择自氢、卤素、(C.sub.1-C.sub.4)烷基和(C.sub.1-C.sub.4)氧基烷基；R独立地选择自氢、(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、(C.sub.2-C.sub.8)炔基(C.sub.1-C.sub.12)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.4)烷基、芳基、芳基烷基、杂环和R.sub.1独立地选择自氢、(C.sub.1-C.sub.6)烷基和芳基；Z选择自(C.sub.1-C.sub.6)烷基、卤代(C.sub.1-C.sub.6)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.4)烷基、芳基和芳基烷基。

  公开号：

  US05886015A1

文献信息

• US5886015A
  申请人：——

  公开号：US5886015A

  公开（公告）日：1999-03-23
• Benzyloxy substituted aromatics and their use as fungicides and insecticides
  申请人：Dow AgroSciences LLC

  公开号：EP0811614B1

  公开（公告）日：2002-09-25
• Benzyloxy substituted aromatics and their use as fungicides and
  申请人：Rohm and Haas Company

  公开号：US05886015A1

  公开（公告）日：1999-03-23

  Compounds with fungicidal and insecticidal properties having formula ##STR1## wherein A is N or CH; V is O or NH; m and n are independently 0 and 1 provided that m+n is not 2, and U and W are independently O or N; such that when U and W are both N and n is 0 and m is 1, the bond between the 1 and 5 atoms is a double bond and the bond between the C.sub.3 -C.sub.4 atoms is a single or double bond, and when n is 1 and m is 0, the bond between the 2 and 3 atoms is a double bond and the bond between the C.sub.4 -C.sub.5 atoms is a single or double bond; and that when U is O and W is N and n=m=0, the bond between the 1 and 5 atoms is a double bond and the bond between the C.sub.3 -C.sub.4 atoms is a single or double bond; and that when U is N and W is O and n=m=0, the bond between the 2 and 3 atoms is a double bond and the bond between the C.sub.4 -C.sub.5 atoms is a single or double bond; 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, halo(C.sub.1 -C.sub.12)alkyl, (C.sub.2 -C.sub.8)alkenyl, (C.sub.2 -C.sub.8)alkynyl(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.4)alkyl, aryl, aralkyl, heterocyclic and R.sub.1 is independently selected from hydrogen, (C.sub.1 -C.sub.6)alkyl, and aryl; and Z is selected from (C.sub.1 -C.sub.6)alkyl, halo(C.sub.1 -C.sub.6)alkyl, (C.sub.3 -C.sub.7) cycloalkyl, (C.sub.3 -C.sub.7)cycloalkyl(C.sub.1 -C.sub.4)alkyl, aryl and aralkyl.

  具有杀菌和杀虫特性的化合物，其分子式为##STR1##其中A为N或CH；V为O或NH；m和n独立地为0和1，但要求m+n不为2，U和W独立地为O或N；当U和W都为N且n为0且m为1时，1和5原子之间的键为双键，C.sub.3-C.sub.4原子之间的键为单键或双键；当n为1且m为0时，2和3原子之间的键为双键，C.sub.4-C.sub.5原子之间的键为单键或双键；当U为O且W为N且n=m=0时，1和5原子之间的键为双键，C.sub.3-C.sub.4原子之间的键为单键或双键；当U为N且W为O且n=m=0时，2和3原子之间的键为双键，C.sub.4-C.sub.5原子之间的键为单键或双键；X独立地选择自氢、卤素、(C.sub.1-C.sub.4)烷基和(C.sub.1-C.sub.4)氧基烷基；R独立地选择自氢、(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、(C.sub.2-C.sub.8)炔基(C.sub.1-C.sub.12)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.4)烷基、芳基、芳基烷基、杂环和R.sub.1独立地选择自氢、(C.sub.1-C.sub.6)烷基和芳基；Z选择自(C.sub.1-C.sub.6)烷基、卤代(C.sub.1-C.sub.6)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.4)烷基、芳基和芳基烷基。