4-(3,5-dimethylphenyl)tetrahydropyran-4-ol | 499157-80-1

• 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: 4-(3,5-dimethylphenyl)tetrahydropyran-4-ol
• 英文别名: 4-hydroxy-4-(3,5-dimethylphenyl)tetrahydro-2H-pyran；4-hydroxy-4-(3,5-dimethylphenyl)tetrahydropyran；4-(3,5-dimethylphenyl)oxan-4-ol
• CAS: 499157-80-1
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: AOFZTLAQESEUAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(3,5-dimethylphenyl)tetrahydropyran-4-ol 在 硫酸 、 硫脲 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 N-(4-(3,5-dimethylphenyl)perhydropyran-4-yl)amine
  参考文献：
  名称：

  EP1431267

  摘要：

  公开号：
• 作为产物：
  描述：

  四氢吡喃酮 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 4-(3,5-dimethylphenyl)tetrahydropyran-4-ol
  参考文献：
  名称：

  EP1591441

  摘要：

  公开号：

文献信息

• Synthesis and Conformational Studies of Tertiary Alcohols Derived from Tetrahydro-4<i>H</i>-pyran-4-one and Tetrahydrothiopyran-4-one
  作者：Kevin Tran、K. Darrell Berlin、Elizabeth M. Holt、Randal Hallford、Margaret A. Eastman、Valentina K. Yu、K. D. Praliev

  DOI：10.1080/104265090507641

  日期：2005.1.1

  Abstract A series of derivatives of tetrahydro-4 H-pyran-4-one and tetrahydrothiopyran-4-one have been prepared by condensation with aryl Grignard reagents. IR spectra, 1 H and 13 C NMR spectral analyses, and elemental analyses support the structures. A single-crystal X-ray diffraction analysis of 4-(3,5-dimethylphenyl)tetrahydrothiopyran-4-ol [a = 9.729(10), b = 12.846(2), c = 9.970(10) Åi; space

  摘要 通过与芳基格氏试剂缩合制备了四氢-4 H-吡喃-4-酮和四氢噻喃-4-酮的一系列衍生物。IR 光谱、 1 H 和 13 C NMR 光谱分析和元素分析支持结构。4-(3,5-二甲基苯基)四氢噻喃-4-醇的单晶 X 射线衍射分析 [a = 9.729(10), b = 12.846(2), c = 9.970(10) Åi; 空间群 Pna2(1)] 证实芳基位于伪赤道位置，杂环在分子硫端附近略微变平。
• CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT
  申请人：Tani Kousuke

  公开号：US20090318703A1

  公开（公告）日：2009-12-24

  A carboxylic acid derivative of formula (I): wherein R 1 is —COOH, —COOR 6 , etc.; A is a single bond, alkylene, etc.; R 2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R 3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE 2 receptor, especially subtypes EP 3 and/or EP 4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  化学式为（I）的羧酸衍生物：其中R1为—COOH，—COOR6等；A为单键，烷基等；R2为烷基，烷氧基等；B为碳环或杂环；Q为烷基烯-Cyc2等；D为连接链；R3为烷基，碳环或杂环，或其无毒盐。化合物（I）与PGE2受体结合，特别是亚型EP3和/或EP4，并显示拮抗活性，对于预防和/或治疗由疼痛、瘙痒、荨麻疹、过敏、尿频、尿液障碍、阿尔茨海默病、癌症、痛经、子宫内膜异位症等引起的疾病有用。
• Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient
  申请人：Tani Kousuke

  公开号：US20060258728A1

  公开（公告）日：2006-11-16

  A carboxylic acid derivative of formula (I): wherein R 1 is —COOH, —COOR 6 , etc.; A is a single bond, alkylene, etc.; R 2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R 3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE 2 receptor, especially subtypes EP 3 and/or EP 4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  化学式为（I）的羧酸衍生物：其中R1为—COOH，—COOR6等；A为单键，烷基等；R2为烷基，烷氧基等；B为碳环或杂环；Q为烷基烯-Cyc2等；D为连接链；R3为烷基，碳环或杂环，或其无毒盐。化合物（I）与PGE2受体结合，特别是亚型EP3和/或EP4，并显示拮抗活性，可用于预防和/或治疗因疼痛、瘙痒、荨麻疹、过敏、尿频、尿障碍、阿尔茨海默病、癌症、痛经、子宫内膜异位症等引起的疾病。
• Carboxylic acid compounds
  申请人：Asada Masaki

  公开号：US20070167498A1

  公开（公告）日：2007-07-19

  The present invention relates to a carboxylic acid compound of formula (I): wherein R 1 is H, alkyl; m is 2, 3; n is 0-2; R 2 is phenyl, naphthyl, benzofuran, benzothiophene; Q is —CH 2 —O-Cyc1, —CH 2 -Cyc2, -L-Cyc3; R 3a and R 3b each independently is hydrogen, alkyl or taken together form tetrahydro-2H-pyran; a pharmaceutically acceptable salt thereof, a method for producing a process of the preparation thereof and a pharmaceutical agent comprising the same as an active ingredient. The compound of formula (I) have an antagonizing activity against PGE 2 receptor, specifically EP 3 receptor which is subtype thereof, and are useful for the prevention and/or treatment of itching, pain, urinary disturbance or stress disease.

  本发明涉及一种化学式（I）的羧酸化合物：其中，R1为H，烷基；m为2，3；n为0-2；R2为苯基，萘基，苯并呋喃基，苯并噻吩基；Q为—CH2—O-Cyc1，—CH2-Cyc2，-L-Cyc3；R3a和R3b各自独立地为氢，烷基或共同形成四氢-2H-吡喃基；其药学上可接受的盐，制备方法及其作为活性成分的制药剂。化合物（I）具有对PGE2受体的拮抗活性，特别是其亚型EP3受体，并且对于预防和/或治疗瘙痒，疼痛，尿路障碍或压力性疾病有用。
• Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：US07786161B2

  公开（公告）日：2010-08-31

  A carboxylic acid derivative of formula (I): wherein R1 is —COOH, —COOR6, etc.; A is a single bond, alkylene, etc.; R2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE2 receptor, especially subtypes EP3 and/or EP4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  化合物公式为(I)的羧酸衍生物：其中R1为—COOH，—COOR6等；A为单键，烷基等；R2为烷基，烷氧基等；B为环烷基或杂环烷基；Q为烷基烯-环2等；D为连接链；R3为烷基，环烷基或杂环烷基，或其无毒盐。公式(I)的化合物结合PGE2受体，特别是亚型EP3和/或EP4，并显示拮抗活性，可用于预防和/或治疗诱发疼痛，瘙痒，荨麻疹，过敏，尿频，尿障碍，阿尔茨海默病，癌症，痛经，子宫内膜异位症等疾病。