N-[1-(4-chlorophenyl)-1-methylethyl]-acrylamide | 31220-69-6

• 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: N-[1-(4-chlorophenyl)-1-methylethyl]-acrylamide
• 英文别名: N-[1-(4-Chlor-phenyl)-1-methyl-aethyl]-acrylamid；N-[2-(4-chlorophenyl)propan-2-yl]prop-2-enamide
• CAS: 31220-69-6
• 化学式: C₁₂H₁₄ClNO
• 分子量: 223.702
• InChiKey: UGDXTHDSXSYLHT-UHFFFAOYSA-N

物化性质

• 熔点：
  117-118 °C
• 沸点：
  383.6±34.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-[1-(4-chlorophenyl)-1-methylethyl]-acrylamide 、 六氯环戊二烯 生成 1,4,5,6,7,7-六氯-降冰片-5-烯-2-羧酸-[1-(4-氯-苯基)-1-甲基-乙基酰胺]
  参考文献：
  名称：

  Stimuli increasing oviposition by female coffee white stem borer (Coleoptera: Cerambycidae)

  摘要：

  咖啡白螟（Xylotrechus quadripes (Chevrolat)）是南非、印度、泰国和中国咖啡（Coffea arabica (L.) (Rubiaceae)）的主要害虫（Duffy 1968; Schoeman 1990; Visitpanich 1994; Montavon 1997）。雌虫单个或成批产卵，一般产在茎干的树皮缝隙下。新生幼虫在树皮下觅食，在发育过程中，深入茎干内部。茎上最多有 60 只幼虫。幼虫的大面积危害会导致咖啡植株死亡或果实减产（Duffy 1968；GK veeresh）。由于咖啡植株茎内的幼虫难以控制，因此管理策略的目的是通过干扰雌虫产卵或在幼虫钻入茎内之前将其杀死来防止幼虫侵染。我们的研究测试了可能影响雌性 X. quadripes 选择产卵地点的昆虫和寄主植物衍生刺激。

  DOI：

  10.4039/ent133409-3
• 作为产物：
  描述：

  4-氯苯基溴化镁 在 乙醚 作用下， 生成 N-[1-(4-chlorophenyl)-1-methylethyl]-acrylamide
  参考文献：
  名称：

  Stimuli increasing oviposition by female coffee white stem borer (Coleoptera: Cerambycidae)

  摘要：

  咖啡白螟（Xylotrechus quadripes (Chevrolat)）是南非、印度、泰国和中国咖啡（Coffea arabica (L.) (Rubiaceae)）的主要害虫（Duffy 1968; Schoeman 1990; Visitpanich 1994; Montavon 1997）。雌虫单个或成批产卵，一般产在茎干的树皮缝隙下。新生幼虫在树皮下觅食，在发育过程中，深入茎干内部。茎上最多有 60 只幼虫。幼虫的大面积危害会导致咖啡植株死亡或果实减产（Duffy 1968；GK veeresh）。由于咖啡植株茎内的幼虫难以控制，因此管理策略的目的是通过干扰雌虫产卵或在幼虫钻入茎内之前将其杀死来防止幼虫侵染。我们的研究测试了可能影响雌性 X. quadripes 选择产卵地点的昆虫和寄主植物衍生刺激。

  DOI：

  10.4039/ent133409-3

文献信息

• Therapeutic agents useful for treating inflammatory diseases
  申请人：The Boots Company PLC

  公开号：US05547972A1

  公开（公告）日：1996-08-20

  This invention relates to compounds of formula I and pharmaceutically acceptable salts thereof ##STR1## in which R.sub.1, R.sub.2 and R.sub.3 independently represent hydrogen, halo, alkyl, alkoxy, phenoxy, phenyl, alkoxycarbonyl, --NR.sub.13 R.sub.14, halogenated alkoxy, halogenated alkyl, benzyloxy, hydroxy, hydroxyalkyl, (C.sub.2-6 alkoxycarbonyl)vinyl, --S(O).sub.n R.sub.7, carbamoylalkyl, alkoxycarbonylalkyl, --CONR.sub.11 R.sub.12, or R.sub.1 and R.sub.2 together with the phenyl ring represent a naphthyl group; R.sub.4 and R.sub.5 independently represent hydrogen, alkyl, phenyl or together with the carbon atom represent C.sub.3-6 cycloalkyl; R.sub.6 represents hydrogen, alkyl or .omega.-hydroxy alkyl; A represents C.sub.2-9 alkylene; R.sub.8 represents hydrogen, alkyl, halo, alkoxy, hydroxyalkyl, benzyl or phenyl; R.sub.9 and R.sub.10 independently represent hydrogen, alkyl, halo, alkoxy, phenyl, hydroxyalkyl, alkoxycarbonyl, nitro, --NR.sub.30 R.sub.31, alkanoyloxyalkyl, or aminomethyl; which are antiinflammatory and antiallergic agents. Compositions containing these compounds and processes to make them are also disclosed.

  这项发明涉及公式I的化合物及其药学上可接受的盐##STR1##其中R.sub.1、R.sub.2和R.sub.3独立地代表氢、卤素、烷基、烷氧基、苯氧基、苯基、烷氧羰基、--NR.sub.13 R.sub.14、卤代烷氧基、卤代烷基、苄氧基、羟基、羟基烷基、(C.sub.2-6烷氧羰基)乙烯基、--S(O).sub.n R.sub.7、氨基甲酰基烷基、烷氧羰基烷基、--CONR.sub.11 R.sub.12，或者R.sub.1和R.sub.2与苯环一起代表萘基；R.sub.4和R.sub.5独立地代表氢、烷基、苯基或者与碳原子一起代表C.sub.3-6环烷基；R.sub.6代表氢、烷基或.ω.-羟基烷基；A代表C.sub.2-9烷基；R.sub.8代表氢、烷基、卤素、烷氧基、羟基烷基、苄基或苯基；R.sub.9和R.sub.10独立地代表氢、烷基、卤素、烷氧基、苯基、羟基烷基、烷氧羰基、硝基、--NR.sub.30 R.sub.31、烷酰氧基烷基，或氨甲基；这些化合物是抗炎和抗过敏剂。还公开了含有这些化合物的组合物和制备它们的方法。
• Imidazole derivatives as therapeutic agents
  申请人：KNOLL Aktiengesellschaft

  公开号：US05780642A1

  公开（公告）日：1998-07-14

  Compounds of the formula I ##STR1## and pharmaceutically acceptable salts thereof in which R.sub.1 represents hydrogen, halo, cyano, cyanoalkyl, alkyl, alkoxy, phenoxy, phenyl, alkoxycarbonyl, --NR.sub.13 R.sub.14, --N(R.sub.15)SO.sub.2 R16, halogenated alkoxy, halogenated alkyl, arylalkoxy, hydroxy, phenylalkyl, alkoxycarbonylvinyl, --S(O).sub.n R.sub.7, alkoxycarbonylalkyl, carboxyalkyl, --CONR.sub.11 R.sub.12 carbamoylvinyl, --OSO.sub.2 R.sub.21, 4,5-dihydrothiazol-2-yl, 4,4-dimethyl-2-oxazolin-2-yl or --NR.sub.60 R.sub.61 ; or R.sub.1 represents a group of formula --(O).sub.z --L.sub.3 G wherein z equals 0 or 1, L.sub.3 represents a C.sub.1-4 alkylene chain, G represents a group of formula a), b), c), or d): a) --NR.sub.22 R.sub.23 ; b) --S(O).sub.m R.sub.26 ; c) CONR.sub.27 R.sub.28 ; d) --OR.sub.29 ; R.sub.2 and R.sub.3 independently represent hydrogen, halo, alkyl, alkoxy, --NR.sub.13 R.sub.14, halogenated alkoxy, halogenated alkyl, hydroxy, --S(O).sub.n R.sub.7 or --NR.sub.60 R.sub.61 ; L.sub.1 represents e) a bond, or f) alkylene, cycloalkylene or cycloalkylidene; T represents a bond or O, S, SO, SO.sub.2, a carbonyl group, or 1,3-dioxolan-2-ylidene; L.sub.2 represents alkylene, cycloalkylene, or cycloalkylidene; R.sub.6 represents hydrogen or alkyl (optionally substituted by alkoxycarbonyl or hydroxy); Q represents a C.sub.1-9 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的化合物及其药学上可接受的盐，其中R.sub.1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、--NR.sub.13 R.sub.14、--N(R.sub.15)SO.sub.2 R16、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).sub.n R.sub.7、烷氧羰基烷基、羧基烷基、--CONR.sub.11 R.sub.12 氨基乙烯基、--OSO.sub.2 R.sub.21、4,5-二氢噻唑-2-基、4,4-二甲基-2-噁唑-2-基或--NR.sub.60 R.sub.61；或R.sub.1代表公式--(O).sub.z --L.sub.3 G中的一个基团，其中z等于0或1，L.sub.3代表C.sub.1-4烷基链，G代表公式a)、b)、c)或d)中的一个基团：a) --NR.sub.22 R.sub.23；b) --S(O).sub.m R.sub.26；c) CONR.sub.27 R.sub.28；d) --OR.sub.29；R.sub.2和R.sub.3独立地代表氢、卤素、烷基、烷氧基、--NR.sub.13 R.sub.14、卤代烷氧基、卤代烷基、羟基、--S(O).sub.n R.sub.7或--NR.sub.60 R.sub.61；L.sub.1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、SO.sub.2、羰基，或1,3-二氧杂环戊二烯基；L.sub.2代表烷基、环烷基或环烷基亚甲基；R.sub.6代表氢或烷基（可选地被烷氧羰基或羟基取代）；Q代表C.sub.1-9烷基链（可选地被烷基或羟基取代）；Y代表一个可选取代的咪唑环；这些化合物是抗炎、抗过敏和免疫调节剂。还公开了含有这些化合物的组合物和制备它们的方法。
• 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。
• Synthesis of a novel antiinflammatory agent, BTS 71321, singly labelled with carbon‐14 in two positions
  作者：Maurice W. Baker、Michael V. Mewse、Stephen W. Shutler、Lucyna M. Taylor、Roger B. Titman

  DOI：10.1002/(sici)1099-1344(199708)39:8<685::aid-jlcr12>3.0.co;2-#

  日期：1997.8