5-BENZYLOXY-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID | 321596-65-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-BENZYLOXY-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
• 英文别名: 1-methyl-5-phenylmethoxypyrazole-4-carboxylic acid
• CAS: 321596-65-0
• 化学式: C₁₂H₁₂N₂O₃
• 分子量: 232.239
• InChiKey: ICRCWZKEJZIQFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-BENZYLOXY-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID 、 1-氨基哌啶 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以100%的产率得到1-methyl-5-phenylmethoxy-N-piperidin-1-ylpyrazole-4-carboxamide
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I

  摘要：

  公开号：

  EP1953145B1
• 作为产物：
  描述：

  ethyl 5-benzyloxy-1-methylpyrazole-4-carboxylate 在 甲醇 、 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.5h， 生成 5-BENZYLOXY-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I

  摘要：

  公开号：

  EP1953145B1

文献信息

• Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation
  申请人：——

  公开号：US20020177578A1

  公开（公告）日：2002-11-28

  Heterocyclic aromatic amides (HAA) according to Formula I: 1 wherein X 1 -X 4 , M, Z, and A are herein defined. The invention also encompasses hydrates, salts and complexes thereof. These compounds are useful as antifungal agents.

  杂环芳香酰胺（HAA）根据公式I：1，其中X1-X4，M，Z和A在此定义。发明还包括其水合物，盐和配合物。这些化合物可用作抗真菌剂。
• Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation
  申请人：Ricks Michael J.

  公开号：US06927225B2

  公开（公告）日：2005-08-09

  The present invention relates to compounds of Formula I: wherein: represents a 6-membered heterocyclic aromatic ring in which X 1 is N, and X 2 , X 3 and X 4 are CR″; wherein R″ is independently H, halogen, cyano, hydroxy, C 1 -C 3 alkyl, C 1 -C 3 haloalkyl, cyclopropyl, C 1 -C 3 alkoxy, C 1 -C 3 haloalkoxy, C 1 -C 3 alkylthio, aryl, C 1 -C 3 NHC(O)alkyl, NHC(O)H, C 1 -C 3 haloalkylthio, C 2 -C 4 alkenyl, C 2 -C 4 haloalkenyl, C 2 -C 4 alkynyl, C 2 -C 4 haloalkynyl or nitro wherein adjacent R″ substituents may form a ring; b) Z is O, S or NOR z in which R z is H or C 1 -C 3 alkyl; and c) A represents (i) C 2 -C 14 alkenyl, or C 2 -C 14 alkynyl, all of which may be branched or unbranched, unsubstituted or substituted with halogen, hydroxy, nitro, aroyl, aryloxy, C 1 -C 8 acyloxy, C 1 -C 6 alkylthio, arylthio, aryl, heteroaryl, heteroarylthio, heteroaryloxy, C 1 -C 6 acyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy, and (ii) C 3 -C 14 cycloalkyl, containing 0 heteroatoms and 0-2 unsaturations, substituted with aryloxy, heteroaryloxy, C 1 -C 6 alkylthio, arylthio, heteroarylthia, C 1 -C 6 alkoxy, or C 1 -C 6 haloalkoxy; which are useful as antifungal agents, particularly for plants.

  本发明涉及式I的化合物: 其中: 表示一个6元杂环芳香环，其中X1为N，而X2、X3和X4为CR″; 其中R″独立地为H、卤素、氰基、羟基、C1-C3烷基、C1-C3卤代烷基、环丙基、C1-C3烷氧基、C1-C3卤代烷氧基、C1-C3烷硫基、芳基、C1-C3NHC（O）烷基、NHC（O）H、C1-C3卤代烷硫基、C2-C4烯基、C2-C4卤代烯基、C2-C4炔基、C2-C4卤代炔基或硝基，其中相邻的R″取代基可以形成环; b) Z为O、S或NORzin，其中Rz为H或C1-C3烷基; 和 c) A表示(i) C2-C14烯基或C2-C14炔基，全部可以是支链的或非支链的，未取代或取代为卤素、羟基、硝基、芳酰基、芳氧基、C1-C8酰氧基、C1-C6烷基硫基、芳基硫基、芳基、杂芳基、杂芳基硫基、杂芳基氧基、C1-C6酰基、C1-C6卤代烷基、C1-C6烷氧基或C1-C6卤代烷氧基; 和 (ii) C3-C14环烷基，不含杂原子和0-2个不饱和度，取代为芳氧基、杂芳氧基、C1-C6烷基硫基、芳基硫基、杂芳硫基、C1-C6烷氧基或C1-C6卤代烷氧基; 这些化合物可用作抗真菌剂，特别是用于植物。
• Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation
  申请人：Dow AgroSciences LLC

  公开号：US07034035B2

  公开（公告）日：2006-04-25

  The present invention relates to compounds of Formula I: wherein: a)  represents a 6-membered heterocyclic aromatic ring in which X1 is N and X2, X3 and X4 are each independently CR″; R″ is independently H, halogen, cyano, hydroxy, C1-C3 alkyl, C1-C3 haloalkyl, cyclopropyl, C1-C3 alkoxy, C1-C3 haloalkoxy, C1-C3 alkylthio, aryl, C1-C3 NHC(O)alkyl, NHC(O)H, C1-C3 haloalkylthio, C2-C4 alkenyl, C2-C4 haloalkenyl, C2-C4 alkynyl, C2-C4 haloalkynyl or nitro wherein adjacent R″ substituents may form a ring; b) Z is O, S or NORZ in which RZ is H or C1-C3 alkyl; and c) A represents (i) C3-C14 cycloalkyl, containing 1 or 3 heteroatoms and 0-2 unsaturations, which may be unsubstituted or substituted with halogen, hydroxy, C1-C6 alkyl, C1-C6 haloalkyl, cyano, nitro, aroyl, aryloxy, heteroaryloxy, C1-C6 alkylthio, arylthio, heteroarylthio, C1-C6 alkoxy, C1-C6 haloalkoxy, C1-C8 acyloxy, aryl, heteroaryl, C1-C6 acyl, C1-C6 carboalkoxy or amido unsubstituted or substituted with one or two C1 -C6 alkyl groups, or (ii) C6-C14 bi- or tricyclic ring system, containing 1-3 heteroatoms and 0-2 unsaturations, which may be unsubstituted or substituted with halogen, hydroxy, C1-C6 alkyl, C1-C6 haloalkyl, cyano, nitro, aroyl, aryloxy, heteroaryloxy, C1-C6 alkylthio, arylthio, heteroarylthio, C1-C6 alkoxy, C1-C6 haloalkoxy, C1-C8 acyloxy, aryl, heteroaryl, C1-C6 acyl, C1-C6 carboalkoxy or amido unsubstituted or substituted with one or two C1-C6 alkyl groups; which are useful as antifungal agents, particularly for plants.

  本发明涉及公式I的化合物：其中：a) 表示一个6元杂环芳香环，其中X1为N，X2，X3和X4分别独立为CR″；R″独立为H，卤素，氰基，羟基，C1-C3烷基，C1-C3卤代烷基，环丙基，C1-C3烷氧基，C1-C3卤代烷氧基，C1-C3烷基硫基，芳基，C1-C3NHC（O）烷基，NHC（O）H，C1-C3卤代烷基硫基，C2-C4烯基，C2-C4卤代烯基，C2-C4炔基，C2-C4卤代炔基或硝基，其中相邻的R″取代基可以形成环；b) Z为O，S或NORZ，其中RZ为H或C1-C3烷基；c) A表示（i）C3-C14环烷基，含有1或3个杂原子和0-2个不饱和度，可能未取代或取代为卤素，羟基，C1-C6烷基，C1-C6卤代烷基，氰基，硝基，芳酰基，芳氧基，杂芳氧基，C1-C6烷硫基，芳硫基，杂芳硫基，C1-C6烷氧基，C1-C6卤代烷氧基，C1-C8酰氧基，芳基，杂芳基，C1-C6酰基，C1-C6羧酸烷酯或未取代或取代一个或两个C1-C6烷基的酰胺；或（ii）C6-C14双环或三环环系统，含有1-3个杂原子和0-2个不饱和度，可能未取代或取代为卤素，羟基，C1-C6烷基，C1-C6卤代烷基，氰基，硝基，芳酰基，芳氧基，杂芳氧基，C1-C6烷硫基，芳硫基，杂芳硫基，C1-C6烷氧基，C1-C6卤代烷氧基，C1-C8酰氧基，芳基，杂芳基，C1-C6酰基，C1-C6羧酸烷酯或未取代或取代一个或两个C1-C6烷基的酰胺；它们可用作抗真菌剂，特别是用于植物。
• HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11- -HYDROXYSTEROID DEHYDROGENASE TYPE I
  申请人：Shionogi & Co., Ltd.

  公开号：EP1953145A1

  公开（公告）日：2008-08-06

  Disclosed is a compound useful as a type I 11βhydroxysteroid dehydrogenase inhibitor. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R1 is optionally substituted alkyl or the like, one of R2 and R4 is a group of formula: -Y-R5, wherein Y is -O- or the like, R5 is substituted alkyl (the substituent is optionally substituted cycloalkyl or the like), optionally substituted branched alkyl or the like, the other of R2and R4 is hydrogen or optionally substituted alkyl, R3 is a group of formula: -C(=O)-Z-R6, wherein Z is -NR7- or -NR7-W-, R6 is optionally substituted cycloalkyl or the like, R7 is hydrogen or optionally substituted alkyl, W is optionally substituted alkylene, X is =N- or the like, with the proviso that compounds wherein R2 is 2-(morphorino)ethoxy, R3 is N-(1-adamantyl)carbamoyl and R1 is benzyl are excluded.

  本发明公开了一种可用作 I 型 11β 羟类固醇脱氢酶抑制剂的化合物。 一种由式表示的化合物： 其药学上可接受的盐或溶液、 其中 R1 是任选取代的烷基或类似物、 R2 和 R4 中的一个是式中的基团：-Y-R5、 其中 Y 是 -O- 或类似物、 R5 是取代的烷基（取代基是任选取代的环烷基或类似物）、任选取代的支链烷基或类似物、 R2 和 R4 中的另一个是氢或任选取代的烷基、 R3 是式中的基团：-C(=O)-Z-R6、 其中 Z 是-NR7-或-NR7-W-、 R6 是任选取代的环烷基或类似物、 R7 是氢或任选取代的烷基、 W 是任选取代的亚烷基、 X 是 =N- 或类似物、 但 R2 为 2-(吗啉基)乙氧基、R3 为 N-(1-金刚烷基)氨基甲酰基、R1 为苄基的化合物除外。
• USRE039991E1
  申请人：——

  公开号：——

  公开（公告）日：——