2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane methanesulphonate

• 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-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane methanesulphonate
• 英文别名: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane mesylate；2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane monomesylate；2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane methanesulphonate salt；2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-oxirane mesylate salt；2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane methanesulphonate；1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid
• 化学式: CH₄O₃S*C₁₁H₉Cl₂N₃O
• 分子量: 366.225
• InChiKey: AGTZKQUAFXQQDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane methanesulphonate 以 dimethylformamide [DMF] 、 二氯甲烷 、 水 为溶剂， 生成 1-Azido-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol
  参考文献：
  名称：

  Bistriazole antifungal agents

  摘要：

  式为##STR1##的化合物，其中X是胺基，R是取代苯基及其药学上可接受的盐在动物中，包括人类中，是有用的抗真菌剂。

  公开号：

  US04466974A1

文献信息

• 2-aryl-3-(substituted piperazinyl)-1-(1H-1,2,4-triazolyl)propanol-2-ol
  申请人：Pfizer Inc.

  公开号：US04885294A1

  公开（公告）日：1989-12-05

  An antifungal agent of the formula: ##STR1## wherein R is phenyl group which may be substituted by 1 to 3 substituents each independently selected from halo and CF.sub.3 ; R.sup.1 is either (a) a phenyl group substituted by a group of the formula --N.dbd.CH--N(C.sub.1 -C.sub.4 alkyl).sub.2, ##STR2## or (b) a 5- or 6-membered aromatic heterocyclic group which may be benzo-fused and substituted by 1 or 2 substituents each independently selected from halo, C.sub.1 -C.sub.4 alkyl and halo-(C.sub.1 or C.sub.2 alkyl), said heterocyclic group being attached to the nitrogen atom of the piperazine ring by a carbon atom; and R.sup.2 is H or CH.sub.3 ; or an O-ester or O-ether thereof which is a C.sub.2 -C.sub.4 alkanoyl or benzoyl ester, or a C.sub.1 -C.sub.4 alkyl, C.sub.2 -C.sub.4 alkenyl, phenyl-(C.sub.1 -C.sub.4 alkyl) or phenyl ether, said phenyl and benzoyl groups of said O-esters and O-ethers may be substituted by one or two substituents each selected from C.sub.1 -C.sub.4 alkyl, halo and halo-(C.sub.1 or C.sub.2 alkyl); or a pharmaceutically acceptable salt thereof.

  一种抗真菌剂的化学式为：##STR1## 其中 R 是苯基，可以被1至3个取代基取代，每个取代基独立选择自卤素和CF.sub.3；R.sup.1 是 (a) 被一个化学式为 --N.dbd.CH--N(C.sub.1 -C.sub.4 烷基).sub.2 取代的苯基，##STR2## 或 (b) 一个5-或6-成员芳香杂环基，可以是苯并的，并且可以被1或2个取代基取代，每个取代基独立选择自卤素、C.sub.1 -C.sub.4 烷基和卤代-(C.sub.1 或 C.sub.2 烷基)，所述杂环基通过一个碳原子连接到哌嗪环的氮原子上；R.sup.2 是 H 或 CH.sub.3；或其 O-酯或 O-醚，它是 C.sub.2 -C.sub.4 烷酰基或苯甲酰基酯，或 C.sub.1 -C.sub.4 烷基、C.sub.2 -C.sub.4 烯基、苯基-(C.sub.1 -C.sub.4 烷基)或苯醚，所述 O-酯和 O-醚的苯基和苯甲酰基基团可以被每个选择自 C.sub.1 -C.sub.4 烷基、卤素和卤代-(C.sub.1 或 C.sub.2 烷基)的一个或两个取代基取代；或其药用可接受的盐。
• Triazole antifungal agents
  申请人：Pfizer Inc.

  公开号：US04678789A1

  公开（公告）日：1987-07-07

  Compounds of the general formula: ##STR1## wherein Ar is naphthyl, biphenylyl, phenyl or substituted phenyl; n is 0, 1 or 2; and Het is a heterocyclic group which may optionally be substituted or fused to a phenyl, substituted phenyl or further heterocyclic ring; and their pharmaceutically acceptable salts are antifungal agents useful in combatting fungal infections in animals, including humans.

  通式为：##STR1## 其中Ar是萘基、联苯基、苯基或取代苯基；n为0、1或2；Het是杂环基团，可以选择性地取代或融合到苯基、取代苯基或进一步的杂环环上；它们的药用盐是抗真菌剂，可用于治疗动物，包括人类的真菌感染。
• Antifungal
  申请人：Pfizer Inc.

  公开号：US04554286A1

  公开（公告）日：1985-11-19

  1-Triazolyl-2-aryl-3-(5-trifluoromethylimidazol-1-yl)propan-2-ol derivatives useful in the treatment of fungal infections in humans, animals and plants, and their preparation.

  1-三唑基-2-芳基-3-(5-三氟甲基咪唑-1-基)丙醇衍生物，用于治疗人、动物和植物的真菌感染，以及它们的制备。
• Antifungal S-arylmethyl- and S-heterocyclylmethyl ethers of
  申请人：Pfizer Inc.

  公开号：US04505919A1

  公开（公告）日：1985-03-19

  Compounds of the formula: ##STR1## wherein Ar is phenyl substituted by from 1 to 3 substituents, each substituent being independently halo or CF.sub.3 ; n is 0 or 1; and R is a phenyl or a phenyl group substituted by from 1 to 3 substituents, each substituent being independently halo, CF.sub.3, C.sub.1 -C.sub.4 alkoxy, C.sub.2 -C.sub.5 alkoxy-carbonyl or C.sub.1 -C.sub.4 alkylthio, or a 5 or 6 membered aromatic heterocyclic group which may optionally be substituted; and their pharmaceutically acceptable salts are antifungal agents useful in combatting fungal infections in humans.

  分子式为：##STR1## 其中Ar是苯基，被1至3个取代基取代，每个取代基独立地是卤素或CF.sub.3；n为0或1；R是苯基或苯基，被1至3个取代基取代，每个取代基独立地是卤素，CF.sub.3，C.sub.1-C.sub.4烷氧基，C.sub.2-C.sub.5烷氧基羰基或C.sub.1-C.sub.4烷基硫基，或是一个5或6成员的芳香杂环基团，可以选择性地被取代。它们的药物可接受的盐是抗真菌剂，用于对抗人类真菌感染。
• Triazole anti-fungal agents
  申请人：Pfizer Limited

  公开号：EP0100193A1

  公开（公告）日：1984-02-08

  Triazole antifungal agents of the formula:- and their O-esters and O-ethers, where R is a phenyl group optionally substituted by 1 to 3 substituents each independently selected from halo, CF3, C1-C4 alkyl and C1-C4 alkoxy; R' is selected from (a) alkyl), (b) -SO2(C1-C4 alkyl), (C) -S02NR2R2 where either R2 and R3 are both C1-C4 afkyl, or R2 and R3 together with the N atom to which they are attached represent piperidino, (d) -NHSO2(C1-C4 alkyl) and (e) -CONR4R5 where either R4 is H or C,-C4 alkyl and R5 is C,-C4 alkyl, or R4 and R5 together with the N atom to which they are attached represent piperidino; and n is 1 or 2 with the proviso that n is 2 when R' is -NHSO2(C1-C4 alkyl); and their pharmaceutically acceptable salts. The compounds are useful as human and agricultural fungicides.

  式中的三唑类抗真菌剂： - 及其 O-酯和 O-醚，其中 R 是可选被 1 至 3 个各自独立选自卤代、CF3、C1-C4 烷基和 C1-C4 烷氧基的取代基取代的苯基； R' 选自 (a) C1-C4烷基）、(b) -SO2(C1-C4烷基)、(C) -S02NR2R2 其中 R2 和 R3 均为 C1-C4 烷基，或 R2 和 R3 连同其所连接的 N 原子代表哌啶、(d) -NHSO2(C1-C4烷基)和 (e) -CONR4R5 其中 R4 为 H 或 C,-C4烷基，R5 为 C,-C4烷基，或 R4 和 R5 连同其所连接的 N 原子代表哌啶； n 为 1 或 2，但当 R' 为 -NHSO2(C1-C4烷基)时，n 为 2； 及其药学上可接受的盐类。这些化合物可用作人类和农业杀真菌剂。