(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)propyl chloride | 56327-34-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)propyl chloride
• 英文别名: 2-(3-chloropropyl)-5,5-dimethyl-2-phenyl-1,3-dioxan；1,3-Dioxane, 2-(3-chloropropyl)-5,5-dimethyl-2-phenyl-；2-(3-chloropropyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
• CAS: 56327-34-5
• 化学式: C₁₅H₂₁ClO₂
• 分子量: 268.784
• InChiKey: HMGOUPUPPZFAQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)propyl chloride 在 对甲苯磺酸 盐酸 、 sodium hydride 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 42.5h， 生成 5-phenyl-3,4-dihydro-2H-1,6-benzoxazocine
  参考文献：
  名称：

  Synthesis and some reactions of 5-aryl-3,4-dihydro-2H-1,6-benzoxazocine and 5-aryl-3,4-dihydro-2H-1,6-benzothiazocines

  摘要：

  DOI：

  10.1021/jo00175a024
• 作为产物：
  描述：

  4-氯苯丁酮 以31%的产率得到
  参考文献：
  名称：

  LEDNICER D.; EMMERT D. E.; RUDZIK A. D.; GRAHAM B. E., J. MED. CHEM. , 1975, 18, NO 6, 593-599

  摘要：

  DOI：

文献信息

• Amide derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US04533656A1

  公开（公告）日：1985-08-06

  Amide derivatives of the formula: ##STR1## wherein either R.sup.1 is aryl or heterocyclic and A.sup.1 is a direct link, or R.sup.1 is aryl or heterocyclic, or hydrogen or amino and A.sup.1 is alkylene; X is --CH.sub.2 -- or --CO-- or has the formula ##STR2## wherein R.sup.11 and R.sup.12, which may be the same or different, each is alkyl, or R.sup.11 and R.sup.12 are joined to form alkylene; A.sup.2 is alkylene; R.sup.2 is hydrogen, aryl or alkyl which is unsubstituted or which bears an aryl substituent; R.sup.3 is hydrogen or alkyl which is unsubstituted or which bears a halogeno, hydroxy, amino, guanidino, carboxy, carbamoyl, mercapto, alkoxy, alkylamino, dialkylamino, cyclic amino, alkylthio, alkanoylamino, alkoxycarbonyl, arylalkoxycarbonyl, aryl or heterocyclyl substituent; R.sup.4 is alkyl which is unsubstituted or which bears an aryl substituent, or R.sup.4 is phenyl or alkylphenyl; n is 0 or 1; and either R.sup.5, R.sup.6, R.sup.15 and R.sup.16 are all hydrogen, or R.sup.5 and R.sup.6 are both hydrogen and R.sup.15 and R.sup.16 together form tetramethylene; or R.sup.5 and R.sup.6 together form a second bond between the two carbon atoms to which they are attached and R.sup.15 and R.sup.16 together form buta-1,3-dien-1,4-diyl; or a salt thereof; processes for their manufacture and pharmaceutical compositions containing them. The compounds are inhibitors of angiotensin converting enzyme.

  该公式的酰胺衍生物：其中R.sup.1为芳基或杂环基，A.sup.1为直链，或R.sup.1为芳基或杂环基，或氢或氨基，A.sup.1为烷基；X为--CH.sub.2--或--CO--或具有以下公式：其中R.sup.11和R.sup.12，可以相同也可以不同，每个为烷基，或R.sup.11和R.sup.12连接形成烷基；A.sup.2为烷基；R.sup.2为氢、芳基或未取代或带有芳基取代基的烷基；R.sup.3为氢或未取代或带有卤、羟基、氨基、胍基、羧基、氨基甲酰基、巯基、烷氧基、烷基氨基、二烷基氨基、环氨基、烷硫基、烷酰氨基、烷氧羰基、芳基烷氧羰基、芳基或杂环基取代基；R.sup.4为未取代或带有芳基取代基的烷基，或R.sup.4为苯基或烷基苯基；n为0或1；且R.sup.5、R.sup.6、R.sup.15和R.sup.16都为氢，或R.sup.5和R.sup.6都为氢，而R.sup.15和R.sup.16一起形成四亚甲基；或R.sup.5和R.sup.6一起形成连接它们附着的两个碳原子之间的第二键，而R.sup.15和R.sup.16一起形成丁二烯-1,3-二基；或其盐；其制造方法和含有它们的药物组合物。这些化合物是抑制血管紧张素转换酶的。
• Butyrophenones as hypotensive agents. Derivatives of 4-aryl-4-(hydroxymethyl)cyclohexylamine
  作者：Daniel Lednicer、D. Edward Emmert、Alan D. Rudzik、Boyd E. Graham

  DOI：10.1021/jm00240a014

  日期：1975.6

  preparation of butyrophenone derivatives of 4-aryl-4-(hydroxymethyl)cyclohex-1-ylamines starting from the corresponding 4-cyano-4-phenylcyclohexan-1-ones is described. Substitution was varied with both rings; both isomers of 4-phenyl-4-(hydroxymethyl)cyclohex-1-ylamine were characterized. Those derivatives which carried p-fluoro substitution on the butyrophenone exhibited hypotensive activity in the rat with

  描述了从相应的4-氰基-4-苯基环己酮-1-酮开始制备4-芳基-4-（羟甲基）环己-1-基胺的丁苯酮衍生物。两个环都有不同的取代基；对4-苯基-4-（羟甲基）环己-1-基胺的两种异构体进行了表征。与缺乏羟甲基的化合物相比，在丁苯酮上进行对氟取代的那些衍生物在大鼠中表现出降压活性，而CNS活性降低。讨论了取代对4-芳基环的影响。
• Anti-inflammatory phospholipase-A2 inhibitors. II. Design, synthesis and structure-activity relationship
  作者：W Wilkerson、I DeLucca、W Galbraith、J Kerr

  DOI：10.1016/0223-5234(92)90138-q

  日期：1992.9

  The design and synthesis of a novel series of phospholipase-A2 (PLA2) inhibitor with antiinflammatory activity was based on a systematic structure-activity relationship (SAR) analysis.
• PROST M.; CROMPHAUT V. VAN; VERSTRAETEN W.; DIRKS M.; TORNAY C.; COLOT M.+, EUR. J. MED. CHEM.-CHIM. THER., 1980, 15, NO 3, 215-222
  作者：PROST M.、 CROMPHAUT V. VAN、 VERSTRAETEN W.、 DIRKS M.、 TORNAY C.、 COLOT M.+

  DOI：——

  日期：——
• PRESS, J. B.;EUDY, N. H., J. ORG. CHEM., 1984, 49, N 1, 116-122
  作者：PRESS, J. B.、EUDY, N. H.

  DOI：——

  日期：——