2-(3-hydroxyphenyl)-2-methylpropanal

• 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: 2-(3-hydroxyphenyl)-2-methylpropanal
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: RBSLEOHOLLJGRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-hydroxyphenyl)-2-methylpropanal 、 异戊醇 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以28%的产率得到1-isobutyl-4,4-dimethylisochroman-6-ol
  参考文献：
  名称：

  以[1,3]-氢化物转移为主要步骤的串联环化

  摘要：

  一种史无前例的方法，该方法通过路易斯酸催化的氧碳鎓离子的[1,3]-氢化物转移（[1,3] -HT）使醇中的α-CH键与2-芳基乙醛直接偶联，已开发。异色满衍生物的氧化还原中性制备是通过串联缩合/ [1,3] -HT / Friedel-Crafts序列进行的，产率中等至良好。氘标记的研究提供了机理上的见解，并揭示了氧化还原功能化是通过[1,3] -HT进行的。

  DOI：

  10.1039/c7cc06144g
• 作为产物：
  描述：

  2-(3-甲氧基苯基)-2-甲基丙腈 在 二异丁基氢化铝 、 potassium carbonate 、 苯硫酚 作用下， 以 N-甲基吡咯烷酮 、 甲苯 为溶剂， 反应 10.5h， 生成 2-(3-hydroxyphenyl)-2-methylpropanal
  参考文献：
  名称：

  以[1,3]-氢化物转移为主要步骤的串联环化

  摘要：

  一种史无前例的方法，该方法通过路易斯酸催化的氧碳鎓离子的[1,3]-氢化物转移（[1,3] -HT）使醇中的α-CH键与2-芳基乙醛直接偶联，已开发。异色满衍生物的氧化还原中性制备是通过串联缩合/ [1,3] -HT / Friedel-Crafts序列进行的，产率中等至良好。氘标记的研究提供了机理上的见解，并揭示了氧化还原功能化是通过[1,3] -HT进行的。

  DOI：

  10.1039/c7cc06144g

文献信息

• [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087687A1

  公开（公告）日：2004-10-14

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula (I). Wherein Z, X, R1, R2, R3, and R4 are as described in the specification.

  该发明涉及在治疗与环氧合酶-2介导的疾病相关的情况中具有效用的方法和化合物。特别感兴趣的化合物是由式(I)定义的苯并吡喃和它们的类似物。其中Z、X、R1、R2、R3和R4如规范中所述。
• 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。
• Benzopyran compounds useful for treating inflammatory conditions
  申请人：Carter Jeffery

  公开号：US20050148777A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2, R 3 , and R 4 are as described in the specification.

  本发明涉及与环氧合酶-2介导的疾病相关的病症治疗方法和化合物。特别感兴趣的化合物是由公式1定义的苯并吡喃和其类似物，其中Z、X、R1、R2、R3和R4如规范中所述。
• Benzopyran compounds for use in the treatment and prevention of inflammation related conditions
  申请人：Carter Jeffery

  公开号：US20050148627A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2 , R 3 , and R 4 are as described in the specification.

  本发明涉及用于治疗与环氧合酶-2介导的疾病相关的条件的方法和化合物。特别感兴趣的化合物是苯并吡喃和它们的类似物，其由公式1定义，其中Z、X、R1、R2、R3和R4如规范中所述。
• 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。