2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol | 89220-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
• 英文别名: 2-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol；2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
• CAS: 89220-53-1
• 化学式: C₁₁H₁₂ClN₃O₂
• 分子量: 253.688
• InChiKey: XSPDUQNPZTZPAT-UHFFFAOYSA-N

物化性质

• 沸点：
  512.4±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol 生成 1-[[4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
  参考文献：
  名称：

  FUNAKI, YUDZI;TAKANO, NITAKA;IDZUMI, KADZUO;IVAKURI, YUKIO

  摘要：

  DOI：
• 作为产物：
  描述：

  1-[2-(4-Chlorophenyl)prop-2-en-1-yl]-1H-1,2,4-triazole 生成 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
  参考文献：
  名称：

  NICHOLASA, J. F.

  摘要：

  DOI：

文献信息

• 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal,
  申请人：Schering Corporation

  公开号：US04788190A1

  公开（公告）日：1988-11-29

  Novel 1,3-dioxolane compounds useful as antifungal and antiallergy agents and represented by the formula ##STR1## wherein Ar is thienyl, pyridyl, biphenyl, phenyl or phenyl substituted by one or more of halo, nitro, cyano, lower alkyl, lower alkoxy or perhalo(lower)alkyl; Y is CH or N; Q is ##STR2## W is --NR.sub.5 --, --O--, --S(O).sub.n --; X is NO.sub.2, NR.sub.6 R.sub.7 or COR.sub.8 ; R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are independently hydrogen or lower alkyl; R.sub.5 is hydrogen, lower alkyl or (C.sub.2 -C.sub.6) alkanoyl; R.sub.6 and R.sub.7 are independently hydrogen, lower alkyl, phenyl or phenyl substituted by one or more of halo, perhalo loweralkyl, (C.sub.2 -C.sub.6)alkanoyl lower alkyl, lower alkoxy or 2-loweralkyl-3-oxo-1,2,4-trirazol-4-yl or R.sub.6 and R.sub.7 taken together with the nitrogen atom in NR.sub.6 R.sub.7 form substituted or unsubstituted heterocyclyl, said heterocyclyl substituents being (C.sub.2 -C.sub.6)alkanoyl, lower alkyl, phenyl or phenyl substituted by one or more of halo, perhaloloweralkyl, (C.sub.2 -C.sub.6)alkanoyl, loweralkyl, lower alkoxy or 2-loweralkyl-3-oxo-1,2,4-triazol-4-yl and R.sub.8 is lower alkyl, lower alkoxy, --NR.sub.1 R.sub.2, phenyl or phenyl substituted by one or more of halo, perhalo lower alkyl, lower alkyl, lower alkoxy, nitro, cyano or (C.sub.2 -C.sub.6)alkanoyl and p is 0, 1, 2, 3, 4 or 5 and n is 0, 1, or 2 and the stereochemical isomers thereof in racemic or optically active form; or a pharmaceutically acceptable salt thereof.

  Novel 1,3-二氧杂环己烷化合物，可用作抗真菌和抗过敏剂，其化学式为##STR1##其中Ar是噻吩基，吡啶基，联苯基，苯基或被一种或多种卤素，硝基，氰基，低碳基，低碳氧基或全卤素（低）碳基取代的苯基; Y是CH或N; Q是##STR2##W是--NR.sub.5 --，--O--，--S(O).sub.n --; X是NO.sub.2，NR.sub.6 R.sub.7或COR.sub.8; R.sub.1，R.sub.2，R.sub.3和R.sub.4独立地是氢或低碳基; R.sub.5是氢，低碳基或（C.sub.2 -C.sub.6）烷酰基; R.sub.6和R.sub.7独立地是氢，低碳基，苯基或被一种或多种卤素，全卤素低碳基，（C.sub.2 -C.sub.6）烷酰基低碳基，低碳氧基或2-低碳基-3-氧代-1,2,4-三唑-4-基苯基或R.sub.6和R.sub.7与NR.sub.6 R.sub.7中的氮原子一起形成取代或未取代的杂环基，所述杂环基取代基为（C.sub.2 -C.sub.6）烷酰基，低碳基，苯基或被一种或多种卤素，全卤素低碳基，（C.sub.2 -C.sub.6）烷酰基，低碳基，低碳氧基或2-低碳基-3-氧代-1,2,4-三唑-4-基苯基；R.sub.8是低碳基，低碳氧基，--NR.sub.1 R.sub.2，苯基或被一种或多种卤素，全卤素低碳基，低碳基，低碳氧基，硝基，氰基或（C.sub.2 -C.sub.6）烷酰基; p为0, 1, 2, 3, 4或5，n为0, 1或2，其立体异构体为外消旋或光学活性形式；或其药学上可接受的盐。
• Azolyl fungicide and plant growth regulators and compositions containing them
  申请人：FBC LIMITED

  公开号：EP0094167A2

  公开（公告）日：1983-11-16

  Compounds of formula I where R1 is optionally substituted phenyl; R2 and R3, which may be the same or different, are hydrogen, or alkyl of phenyl or together are C4-8 alkylene; R4 and R5, which may be the same or different, are hydrogen or alkyl and X is CH or N; together with acid addition salts, quaternary ammonium salts ad complexes of these compounds with metal salts, and certain intermediates to these, have fungicidal and plant growth regulant activity.

  式 I 的化合物 其中 R1 是任选取代的苯基； R2 和 R3（可以相同或不同）为氢或苯基烷基，或共同为 C4-8 亚烷基； R4 和 R5（可以相同或不同）是氢或烷基，X 是 CH 或 N；这些化合物与酸加成盐、季铵盐、这些化合物与金属盐的络合物以及某些中间体一起，具有杀菌和植物生长调节活性。
• [EN] 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS
  申请人：SCHERING CORPORATION

  公开号：WO1988005048A1

  公开（公告）日：1988-07-14

  (EN) 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane compounds and pharmaceutically acceptable salts and solvates thereof which possess anti-fungal, anti-allergy, anti-inflammatory and/or immuno modulation activity. Methods for preparing and using the compounds also are described.(FR) Ces composés et leurs sels et solvats acceptables sur le plan pharmaceutique possèdent des propriétés antimycosiques, antiallergiques, anti-inflammatoires et/ou immunomodulatrices. Les modes de préparation et les utilisations de ces composés sont également décrits.

  2,4,4-三取代和2,2,4,4-四取代-1,3-间二甲基呋喃类化合物及其 pharmaceutically acceptable盐和溶剂，这些化合物具有抗真菌、抗过敏、抗炎及/或免疫调节活性。合成及其应用方式亦被描述。
• SAKSENA, ANIL K.;COOPER, ALAN B.;GUZIK, HENRY;GIRIJAVALLABHAN, VIYOOR M.;+
  作者：SAKSENA, ANIL K.、COOPER, ALAN B.、GUZIK, HENRY、GIRIJAVALLABHAN, VIYOOR M.、+

  DOI：——

  日期：——
• 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane
  申请人：SCHERING CORPORATION

  公开号：EP0278105B1

  公开（公告）日：1992-05-06