3-Ethoxy-6-(3-butenyl)-2-cyclohexen-1-on | 70436-07-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Ethoxy-6-(3-butenyl)-2-cyclohexen-1-on
• 英文别名: 6-(3-Butenyl)-3-ethoxy-2-cyclohexen-1-one；6-(3-Butenyl)-3-ethoxy-2-cyclohexenone；6-but-3-enyl-3-ethoxycyclohex-2-en-1-one
• CAS: 70436-07-6
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: BZXMXADDNQRJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Ethoxy-6-(3-butenyl)-2-cyclohexen-1-on 在 lithium aluminium tetrahydride 作用下， 生成 4-(1'-but-3'-enyl)-2-cyclohex-2-en-1-one
  参考文献：
  名称：

  烯丙基和炔丙基硅烷的分子内环化

  摘要：

  在甲苯中用EtAlCl 2处理后，类型5的烯丙基硅烷和类型13的炔丙基硅烷会发生有效的环化反应，从而得到类型6的立体选择性官能化的氢化茚酮和类型14的螺[4,5]癸烷。

  DOI：

  10.1016/s0040-4039(00)94749-x
• 作为产物：
  描述：

  4-碘-1-丁烯 、 3-乙氧基-2-环己烯-1-酮 在 lithium diisopropyl amide 作用下， 生成 3-Ethoxy-6-(3-butenyl)-2-cyclohexen-1-on
  参考文献：
  名称：

  烯丙基和炔丙基硅烷的分子内环化

  摘要：

  在甲苯中用EtAlCl 2处理后，类型5的烯丙基硅烷和类型13的炔丙基硅烷会发生有效的环化反应，从而得到类型6的立体选择性官能化的氢化茚酮和类型14的螺[4,5]癸烷。

  DOI：

  10.1016/s0040-4039(00)94749-x

文献信息

• 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents
  申请人：Pfizer Inc.

  公开号：US04306097A1

  公开（公告）日：1981-12-15

  Cycloalkanones, cycloalkanols and unsaturated analogs thereof, each of which has at the 3-position a 2-hydroxy-4-substituted phenyl group wherein the 4-position substituent is alkyl which can have an oxygen atom as part of the chain, or aralkyl which can have an oxygen atom as part of the alkyl chain, their use for pharmacological and medicinal purposes, intermediates therefor and processes for their preparation.

  环烷酮、环烷醇及其不饱和类似物，每个在3位上具有一个2-羟基-4-取代苯基团，其中4位取代基是可以在链中具有氧原子的烷基，或者可以在烷基链中具有氧原子的芳基烷基，它们用于药理学和药用目的，以及其中间体和制备过程。
• 2-Hydroxy-4-(substituted) phenyl cycloalkanes and derivatives
  申请人：Pfizer Inc.

  公开号：US04371720A1

  公开（公告）日：1983-02-01

  Compounds having the formula ##STR1## R.sub.1 is hydrogen, benzyl or an ester moiety; Y is --CH(R.sub.2 ")CH(R.sub.2)-- or--CH(R.sub.3)CH.sub.2 --; R.sub.2 " is hydrogen or methyl; R.sub.2 is OH or X-substituted (C.sub.1-6)alkyl; R.sub.3 is OH, cyano or X-substituted (C.sub.1-3) alkyl; X is --OR.sub.6, --SR.sub.6, --S(O)R.sub.6, --S(O).sub.2 R.sub.6, --NR.sub.6 R.sub.7, --COOR.sub.7, --CONR.sub.7 R.sub.8 or oxo; with the proviso that when X is --NR.sub.6 R.sub.7, --COOR.sub.7 or --CONR.sub.7 R.sub.8, said group is located on the terminal carbon atom of R.sub.2 or R.sub.3 ; R.sub.6 is hydrogen, (C.sub.1-6)alkyl or acetyl; each of R.sub.7 and R.sub.8 is hydrogen or (C.sub.1-6)alkyl; s is an integer of 1 or 2; with the proviso that when R.sub.6 is acetyl, R.sub.7 is hydrogen and X is other than S(O)R.sub.6 or S(O).sub.2 R.sub.6 ; Z--W is alkyl, phenylalkyl or pyridylalkyl which can have an oxygen atom as part of the alkyl chain, and their use as CNS agents, antidiarrheals and antiemetics. Processes for their preparation and intermediates therefor are described.

  具有以下式的化合物 ##STR1## R.sub.1 为氢、苄基或酯基团；Y 为--CH(R.sub.2 ")CH(R.sub.2)-- 或--CH(R.sub.3)CH.sub.2 --；R.sub.2 " 为氢或甲基；R.sub.2 为羟基或取代的（C.sub.1-6）烷基；R.sub.3 为羟基、氰基或取代的（C.sub.1-3）烷基；X 为--OR.sub.6、--SR.sub.6、--S(O)R.sub.6、--S(O).sub.2 R.sub.6、--NR.sub.6 R.sub.7、--COOR.sub.7、--CONR.sub.7 R.sub.8 或氧代；但当 X 为--NR.sub.6 R.sub.7、--COOR.sub.7 或--CONR.sub.7 R.sub.8 时，该基团位于 R.sub.2 或 R.sub.3 的末端碳原子上；R.sub.6 为氢、（C.sub.1-6）烷基或乙酰基；R.sub.7 和 R.sub.8 中的每一个为氢或（C.sub.1-6）烷基；s 为 1 或 2 的整数；但当 R.sub.6 为乙酰基、R.sub.7 为氢且 X 不是 S(O)R.sub.6 或 S(O).sub.2 R.sub.6 时；Z--W 为烷基、苯基烷基或吡啶基烷基，其中烷基链中可能含有氧原子，并且它们作为中枢神经系统药物、止泻药和抗恶心药。描述了它们的制备过程和中间体。
• 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol
  申请人：Pfizer Inc.

  公开号：US04391827A1

  公开（公告）日：1983-07-05

  Cycloalkanones, cycloalkanols and unsaturated analogs thereof, each of which has at the 3-position a 2-hydroxy-4-substituted phenyl group wherein the 4-position substituent is alkyl which can have an oxygen atom as part of the chain, or aralkyl which can have an oxygen atom as part of the alkyl chain, their use for pharmacological and medicinal purposes, intermediates therefor and processes for their preparation.

  环烷酮，环烷醇及其不饱和类似物，每种化合物在3位具有2-羟基-4-取代苯基，其中4位取代基是烷基，可以将氧原子作为链的一部分，或是芳基烷基，可以将氧原子作为烷基链的一部分。它们用于药理学和医学目的，其中间体以及制备它们的过程。
• Pharmacologically active 2-hydroxy-4-(substituted) phenyl cycloalkanes
  申请人：Pfizer Inc.

  公开号：US04921994A1

  公开（公告）日：1990-05-01

  Compounds having the formula ##STR1## R.sub.1 is hydrogen, benzyl or an ester moiety; Y is --CH(R.sub.2 ")CH(R.sub.2)-- or --CH(R.sub.3)CH.sub.2 --; R.sub.2 " is hydrogen or methyl; R.sub.2 is OH or X-substituted (C.sub.1-16) alkyl; R.sub.3 is OH, cyano or X-substituted (C.sub.1-3) alkyl; X is --OR.sub.6, --SR.sub.6, --S(O)R.sub.6, --S(O).sub.2 R.sub.6, --NR.sub.6 R.sub.7, --COOR.sub.7, --CONR.sub.7 R.sub.8 or oxo; with the proviso that when X is --NR.sub.6 R.sub.7, --COOR.sub.7 or --CONR.sub.7 R.sub.8, said group is located on the terminal carbon atom of R.sub.2 or R.sub.3 ; R.sub.6 is hydrogen, (C.sub.1-6) alkyl or acetyl; each of R.sub.7 and R.sub.8 is hydrogen or (C.sub.1-6) alkyl; s is an integer of 1 or 2; with the proviso that when R.sub.6 is acetyl, R.sub.7 is hydrogen and X is other than S(O)R.sub.6 or S(O).sub.2 R.sub.6 ; z-w is alkyl, phenylalkyl or pyridylalkyl which can have an oxygen atom as part of the alkyl chain, and their use as CNS agents, antidiarrheals and antiemetics. Processes for their preparation and intermediates therefor are described.

  具有以下式的化合物：##STR1##其中R.sub.1是氢，苄基或酯基；Y是--CH(R.sub.2 ")CH(R.sub.2)--或--CH(R.sub.3)CH.sub.2--；R.sub.2 "是氢或甲基；R.sub.2是OH或X取代的（C.sub.1-16）烷基；R.sub.3是OH，氰基或X取代的（C.sub.1-3）烷基；X是--OR.sub.6，--SR.sub.6，--S(O)R.sub.6，--S(O).sub.2R.sub.6，--NR.sub.6R.sub.7，--COOR.sub.7，--CONR.sub.7R.sub.8或氧代；但当X为--NR.sub.6R.sub.7，--COOR.sub.7或--CONR.sub.7R.sub.8时，该基团位于R.sub.2或R.sub.3的末端碳原子上；R.sub.6是氢，（C.sub.1-6）烷基或乙酰基；R.sub.7和R.sub.8中的每一个是氢或（C.sub.1-6）烷基；s是1或2的整数；但当R.sub.6为乙酰基，R.sub.7为氢且X不是S(O)R.sub.6或S(O).sub.2R.sub.6时；z-w是烷基，苯基烷基或吡啶基烷基，可以在烷基链中具有氧原子，其用作中枢神经系统药物，止泻药和抗恶心药。描述了它们的制备过程和中间体。
• Producing analgesia with pharmacologically active
  申请人：Pfizer Inc.

  公开号：US04831059A1

  公开（公告）日：1989-05-16

  Compounds having the formula ##STR1## R.sub.1 is hydrogen, benzyl or an ester moiety; Y is --CH(R.sub.2 ")CH(R.sub.2)-- or --CH(R.sub.3)CH hd 2--; R.sub.2 " is hydrogen or methyl; R.sub.2 is OH or X-substituted (C.sub.1-6)alkyl; R.sub.3 is OH, cyano or X-substituted (C.sub.1-3)alkyl; X is --OR.sub.6, --SR.sub.6, --S(O)R.sub.6, --S(O).sub.2 R.sub.6, --NR.sub.6 R.sub.7, --COOR.sub.7, --CONR.sub.7 R.sub.8 or oxo; with the proviso that when X is --NR.sub.6 R.sub.7, --COOR.sub.7 or --CONR.sub.7 R.sub.8, said group is located on the terminal carbon atom of R.sub.2 or R.sub.3 ; R.sub.6 is hydrogen, (C.sub.1-6)alkyl or acetyl; each of R.sub.7 and R.sub.8 is hydrogen or (C.sub.1-6)alkyl; s is an integer of 1 or 2; with the proviso that when R.sub.6 is acetyl, R.sub.7 is hydrogen and X is other than S(O)R.sub.6 or S(O).sub.2 R.sub.6 ; Z-W is alkyl, phenylalkyl or pyridylalkyl which can have an oxygen atom as part of the alkyl chain, and their use as CNS agents, antidiarrheals and anti-emetics. Processes for their preparation and intermediates therefor are described.

  具有以下化学式的化合物：##STR1##其中，R.sub.1为氢，苄基或酯基；Y为--CH（R.sub.2"）CH（R.sub.2）--或--CH（R.sub.3）CH hd 2--；R.sub.2"为氢或甲基；R.sub.2为OH或X取代的（C.sub.1-6）烷基；R.sub.3为OH，氰基或X取代的（C.sub.1-3）烷基；X为--OR.sub.6，--SR.sub.6，--S（O）R.sub.6，--S（O）.sub.2 R.sub.6，--NR.sub.6 R.sub.7，--COOR.sub.7，--CONR.sub.7 R.sub.8或氧代；但当X为--NR.sub.6 R.sub.7，--COOR.sub.7或--CONR.sub.7 R.sub.8时，该基团位于R.sub.2或R.sub.3的末端碳原子上；R.sub.6为氢，（C.sub.1-6）烷基或乙酰基；R.sub.7和R.sub.8中的每一个为氢或（C.sub.1-6）烷基；s为1或2的整数；但当R.sub.6为乙酰基，R.sub.7为氢且X不是S（O）R.sub.6或S（O）.sub.2 R.sub.6时；Z-W为烷基，苯基烷基或吡啶基烷基，其可以具有氧原子作为烷基链的一部分，并且它们作为中枢神经系统药物、止泻药和抗恶心药物使用。描述了它们的制备过程和中间体。