N-[4-(2-ethyl-2H-tetrazol-5-yl)phenylmethyl]-4-[bis(4-trifluoro-methylphenyl)hydroxymethyl]piperidine N-oxide ethanesulfonic acid salt | 272112-82-0

• 英文名称: N-[4-(2-ethyl-2H-tetrazol-5-yl)phenylmethyl]-4-[bis(4-trifluoro-methylphenyl)hydroxymethyl]piperidine N-oxide ethanesulfonic acid salt
• 英文别名: Ethanesulfonic acid;[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]-1-oxidopiperidin-1-ium-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
• CAS: 272112-82-0
• 化学式: C₂H₆O₃S*C₃₀H₂₉F₆N₅O₂
• 分子量: 715.717
• InChiKey: AIJVZPSIMWMQCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  14

文献信息

• USH1996H1
  申请人：——

  公开号：USH1996H1

  公开（公告）日：2001-10-02
• [EN] INSECTICIDAL PHOTOSTABLE ACID SALT DERIVATIVES OF N-BENZYL-4-BENZHYDROLPIPERIDINES<br/>[FR] DERIVES DE SELS ACIDES PHOTOSTABLES INSECTICIDES DE N-BENZYL-4-BENZHYDROLPIPERIDINES
  申请人：FMC CORP

  公开号：WO2000031034A1

  公开（公告）日：2000-06-02

  It has now been found that certain novel photostable agriculturally acceptable organic or inorganic salts of formula (I) are useful as insecticides: where R is alkoxycarbonyl, alkoxycarbonylamino, cycloalkylalkoxy, 2-alkyl-2H-tetrazhol-5-yl, or 2-haloalkyl-2H-tetrazol-5-yl; R1 is trihaloalkyl, or trihaloalkoxy; n is 0, or 1; and, wherein said salts are derived from hydrochloric acid; hydrobromic acid; boric acid; phosphoric acid; maleic acid; fumaric acid; phtalic acid; salicylic acid optionally substituted with alkyl or halogen; D-glucuronic acid; the sulfonic acid R2SO3H where R2 is alkyl, haloalkyl, hydroxyalkyl, D-10-camphoryl, or phenyl optionally substituted with alkyl or halogen; the carboxylic acid R3CO2H where R3 is hydrogen, alkyl, trihaloalkyl, carboxyl, phenyl optionally substituted with alkyl or halogen, or pyridyl; the boronic acid R4B(OH)2 where R4 is alkyl or phenyl optionally substituted with alkyl or halogen; the phosphonic acid R5PO3H2 where R5 is alkyl, haloalkenyl, or phenyl optionally substituted with alkyl or halogen; the sulfuric acid R6OSO3H where R6 is hydrogen or alkyl; or the alkanoic acid X-(CH¿2?)qCO2H where q is 0 to 11, X is halogen, trihaloalkyl, haloalkenyl, cyano, aminocarbonyl, or CO2R?7¿ where R7 is hydrogen or alkyl. Preferred compounds include those where R is 2-ethyl-2H-tetrazol-5-yl; R1 is trifluoromethyl; n is 1; and said salts are derived from hydrochloric acid, or the sulfonic acid R2SO3H where R2 is alkyl, or hydroxyalkyl.