(4S,5R)-5-Methyl-4-(prop-2-en-1-yl)cyclohex-2-en-1-one | 83002-88-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4S,5R)-5-Methyl-4-(prop-2-en-1-yl)cyclohex-2-en-1-one
• 英文别名: (4S,5R)-5-methyl-4-prop-2-enylcyclohex-2-en-1-one
• CAS: 83002-88-4
• 化学式: C₁₀H₁₄O
• 分子量: 150.22
• InChiKey: OLWOTJPIKHMVMD-RKDXNWHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-methyl-4-(2-propenyl)-2-phenylsulfenylcyclohexanone 、 calcium carbonate 、 magnesium sulfate 在 silica gel 、 ether-hexane 作用下， 以 甲苯 为溶剂， 反应 0.67h， 以to yield 7.61 g的产率得到(4S,5R)-5-Methyl-4-(prop-2-en-1-yl)cyclohex-2-en-1-one
  参考文献：
  名称：

  2-Hydroxy-4-(substituted) phenyl cycloalkanes and derivatives

  摘要：

  化合物的化学式为##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.1-6）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是--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，其中烷基链中可以有一个氧原子，它们可用作中枢神经系统药物、抗腹泻药和抗恶心药。描述了它们的制备过程和中间体。

  公开号：

  US04371720A1

文献信息

• 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。
• 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.

  化合物的化学式为##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.1-6）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是--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，其中烷基链中可以有一个氧原子，它们可用作中枢神经系统药物、抗腹泻药和抗恶心药。描述了它们的制备过程和中间体。
• Substituted 2-hydroxyphenyl cycloalkanes and pharmaceutical compositions thereof
  申请人：PFIZER INC.

  公开号：EP0048572B1

  公开（公告）日：1987-07-15
• US4371720A
  申请人：——

  公开号：US4371720A

  公开（公告）日：1983-02-01
• US4831059A
  申请人：——

  公开号：US4831059A

  公开（公告）日：1989-05-16