N-[2-(4-chlorophenylthio)-1,1-dimethylethyl]propionamide | 1216-10-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[2-(4-chlorophenylthio)-1,1-dimethylethyl]propionamide
• 英文别名: N-<2-(4-Chlor-phenylmercapto)-1,1-dimethyl-aethyl>-propionamid；N-[2-(4-Chlor-phenylmercapto)-1,1-dimethyl-aethyl]-propionamid；N-[1-(4-chlorophenyl)sulfanyl-2-methylpropan-2-yl]propanamide
• CAS: 1216-10-0
• 化学式: C₁₃H₁₈ClNOS
• 分子量: 271.811
• InChiKey: XKDJOPCSLQGDAT-UHFFFAOYSA-N

物化性质

• 熔点：
  52-58 °C(Solv: hexane (110-54-3))
• 沸点：
  434.1±30.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯苯硫酚 生成 N-[2-(4-chlorophenylthio)-1,1-dimethylethyl]propionamide
  参考文献：
  名称：

  Reactions of Aromatic Thiols with Oxazolines

  摘要：

  DOI：

  10.1021/jo01045a024

文献信息

• Imidazole derivatives as therapeutic agents
  申请人：Knoll Aktiengesellschaft

  公开号：US06215001B1

  公开（公告）日：2001-04-10

  Compounds of the formula I and pharmaceutically acceptable salts thereof in which R1 represents hydrogen, halo, cyano, cyanoalkyl, alkyl, alkoxy, phenoxy, phenyl, alkoxycarbonyl, —NR13R14, —N(R15)SO2R16, halogenated alkoxy, halogenated alkyl, arylalkoxy, hydroxy, phenylalkyl, alkoxycarbonylvinyl, —S(O)nR7, alkoxycarbonylalkyl, carboxyalkyl, —CONR13R12 carbamoylvinyl, —OSO2R21, 4,5-dihydrothiazol-2-yl, 4,4-dimethyl-2-oxazolin-2-yl or —NR60R61; or R1 represents a group of formula —(O)z—L3G wherein z equals 0 or 1, L3 represents a C1-4 alkylene chain, G represents a group of formula a), b), c), or d): a) —NR22R23; b) —S(O)mR26; c) CONR27R28; d) —OR29; R2 and R3 independently represent hydrogen, halo, alkyl, alkoxy, —NR13R14, halogenated alkoxy, halogenated alkyl, hydroxy, —S(O)nR7 or —NR60R61; L1 represents e) a bond, or f) alkylene, cycloalkylene or cycloalkylidene; T represents a bond or O, S, SO, SO2, a carbonyl group, or 1,3-dioxolan-2-ylidene; L2 represents alkylene, cycloalkylene, or cycloalkylidene; R6 represents hydrogen or alkyl (optionally substituted by alkoxycarbonyl or hydroxy); Q represents a C1-9 alkylene chain (optionally substituted by alkyl or hydroxy); and Y represents an optionally substituted imidazole ring; which are antiinflammatory, antiallergic and immunodulant agents. Compositions containing these compounds and processes to make them are also disclosed.

  公式 I 及其药学上可接受的盐，其中 R1 代表氢、卤素、氰基、氰基烷基、烷基、烷氧基、苯氧基、苯基、烷氧羰基、-NR13R14、-N（R15）SO2R16、卤代烷氧基、卤代烷基、芳基烷氧基、羟基、苯基烷基、烷氧羰基乙烯基、-S（O）nR7、烷氧羰基烷基、羧基烷基、-CONR13R12氨基乙烯基、-OSO2R21、4,5-二氢噻唑-2-基、4,4-二甲基-2-噁唑烷-2-基或-NR60R61；或 R1 代表公式-(O)z-L3G 的基团，其中 z 等于 0 或 1，L3 代表 C1-4 烷基链，G 代表公式 a)、b)、c) 或 d) 的基团：a) -NR22R23；b) -S（O）mR26；c) -CONR27R28；d) -OR29；R2 和 R3 分别代表氢、卤素、烷基、烷氧基、-NR13R14、卤代烷氧基、卤代烷基、羟基、-S（O）nR7 或-NR60R61；L1 代表 e) 键或 f) 烷基、环烷基或环烷基亚甲基；T 代表键或 O、S、SO、SO2、羰基团或 1,3-二氧杂环戊二烯基；L2 代表烷基、环烷基或环烷基亚甲基；R6 代表氢或烷基（可选地被烷氧羰基或羟基取代）；Q 代表 C1-9 烷基链（可选地被烷基或羟基取代）；Y 代表可选地取代的咪唑环；这些化合物是抗炎、抗过敏和免疫增强剂。还公开了含有这些化合物的组合物和制备它们的过程。
• Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole
  申请人：Knoll Aktiengesellschaft

  公开号：US06031109A1

  公开（公告）日：2000-02-29

  Compounds of formula I ##STR1## where R.sub.1 -R.sub.3, L.sub.1, T, L.sub.2 --N--Q--Y and R.sub.6 are as defined in the specification, and pharmaceutically acceptable salts thereof which are antiinflammatory, antiallergic and immunomodulant agents, compositions containing these compounds and processes to make them.

  式子I的化合物，其中R.sub.1-R.sub.3，L.sub.1，T，L.sub.2--N--Q--Y和R.sub.6的定义如说明书中所述，并且其药学上可接受的盐是抗炎，抗过敏和免疫调节剂，包含这些化合物的组合物以及制造它们的过程。
• Imidazole derivatives for blocking the release of arachidonic acid from phospholipids
  申请人：Abbott Laboratories

  公开号：US06326500B1

  公开（公告）日：2001-12-04

  Compounds of formula (I) and salts thereof, wherein R1 is hydrogen, halo, cyano, cyanoalkyl, alkyl, alkoxy, phenoxy, phenyl, alkoxycarbonyl, —NR13R14, —N(R15)SO2R16, haloalkoxy, haloalkyl, arylalkoxy, hydroxy, phenylalkyl, alkoxycarbonylvinyl, —SOnR7, alkoxycarbonylalkyl, carboxylalkyl, —CONR11R12, carbamoylvinyl, —O—SO2R21, 4,5-dihydrothiazol-2-yl, 4,4-dimethyl-2-oxazolin-2-yl, —NR60R61 or —(O)z—L3—G (G=−NR22R23, —SOmR26, CONR27R28 or —OR29); R2 and R3 are independently hydrogen halo, alkyl, alkoxy, —NR13R14, haloalkoxy, haloalkyl, hydroxy, —SOnR7 or —NR60R61; L1 is a bond, alkylene, cycloalkylene or cycloalkylidene; T is a bond, O, S, SO, SO2, CO or 1,3-dioxolan-2-ylidene; L2 is alkylene, cycloalkylene or cycloalkylidene; R6 is hydrogen or alkyl; Q is alkylene; and Y is imidazolyl, which are antiinflammatory, antiallergic and immunodulant agents. Compositions containing these compounds and processes to make them are also disclosed.

  化合物式（I）及其盐，其中R1为氢，卤，氰，氰基烷基，烷基，烷氧基，苯氧基，苯基，烷氧羰基，-NR13R14，-N（R15）SO2R16，卤代烷氧基，卤代烷基，芳基烷氧基，羟基，苯基烷基，烷氧羰基乙烯基，-SOnR7，烷氧羰基烷基，羧基烷基，-CONR11R12，氨基乙烯基，-O-SO2R21，4,5-二氢噻唑-2-基，4,4-二甲基-2-噁唑烷-2-基，-NR60R61或-(O)z-L3-G（G= -NR22R23，-SOmR26，CONR27R28或-OR29）;R2和R3独立地为氢，卤，烷基，烷氧基，-NR13R14，卤代烷氧基，卤代烷基，羟基，-SOnR7或-NR60R61;L1为键，烷基，环烷基或环烷基亚甲基;T为键，O，S，SO，SO2，CO或1,3-二氧杂环戊烷-2-基亚甲基;L2为烷基，环烷基或环烷基亚甲基;R6为氢或烷基;Q为烷基;Y为咪唑基，具有抗炎，抗过敏和免疫调节作用。还公开了含有这些化合物的组合物和制备它们的过程。
• IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS
  申请人：Knoll AG

  公开号：EP0705251A1

  公开（公告）日：1996-04-10
• US5780642A
  申请人：——

  公开号：US5780642A

  公开（公告）日：1998-07-14