1-Phenyl-1.4-dicarboxy-cyclohexadien-2.4 | 16248-39-8

• 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: 1-Phenyl-1.4-dicarboxy-cyclohexadien-2.4
• 英文别名: biphenyl-4,1-dicarboxylic acid；1,4-Biphenyldicarboxylic acid；4-phenylcyclohexa-1,5-diene-1,4-dicarboxylic acid
• CAS: 16248-39-8
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: FECUEXDYLHAPMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-Phenyl-5-carboxy-tropon 在 sodium hydroxide 作用下， 生成 1-Phenyl-1.4-dicarboxy-cyclohexadien-2.4
  参考文献：
  名称：

  The Rearrangement of Tropones to Dihydrobenzene Derivatives

  摘要：

  光谱数据阐明了 1-苯基环己二烯-1,2-二羧酸中双键的位置，该双键是之前通过 2-苯基托品酮-7-羧酸的碱性重排得到的。还观察到托品酮衍生物与二氢苯衍生物发生了类似的重排反应。托品酮-2-羧酸可生成 2,5-环己二烯-1,2-二羧酸，而 2-苯基托品酮-5-羧酸可生成 1-苯基-2,4-环己二烯-1,4-二羧酸。2-phenyltropone 还能通过碱重新排列为 2-苯基-2,5-环己二烯-1-羧酸。

  DOI：

  10.1246/bcsj.40.355

文献信息

• Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof
  申请人：Hill Michael

  公开号：US20110251315A1

  公开（公告）日：2011-10-13

  The invention relates to a method for producing monofunctionalized dialkylphosphinic acids, esters, and salts, characterized in that a phosphinic acid source (I) is reacted with olefins (IV) in the presence of a catalyst A to obtain an alkylphosphonous acid, the salt or ester thereof, whereupon said alkylphosphonous acid, the salt or ester (II) thereof is reacted with compounds containing C═C, C═O, or C═N double bonds to obtain compounds of type (III), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 are identical or different from each other and independently represent, inter alia, H, C 1 -C 18 -alkyl, C 6 -C 18 -aryl, C 6 -C 18 -aralkyl, X represents, inter alia, H, C 1 -C 18 -alkyl, C 6 -C 18 -aryl, and/or Mg, Ca, Al, Sb, Sn, Ge, Ti, Fe, Zr, Zn, Ce, Bi, Sr, Mn, Cu, Ni, Li, Na, K, H, and wherein A represents OH, NH 2 , NHR, NR 2 , or O—CO—R 8 , and W represents a mineral acid, carboxylic acid, Lewis acid, or organic acid, wherein n is a whole or a fractional number from 0 to 4, and catalyst A represents transition metals and/or transition metal compounds and/or catalyst systems composed of a transition metal and/or a transition metal compound and at least one ligand. The use of said dialkylphosphonic acids, esters, and salts is also disclosed.

  本发明涉及一种生产单官能团二烷基膦酸、酯和盐的方法，其特征在于在催化剂A的存在下，将膦酸源（I）与烯烃（IV）反应，得到烷基膦酸、盐或酯，然后将所述烷基膦酸、盐或酯（II）与含有C═C、C═O或C═N双键的化合物反应，得到类型为（III）的化合物，其中R1、R2、R3、R4、R5、R6相同或不同，独立地代表H、C1-C18-烷基、C6-C18-芳基、C6-C18-芳基烷基，X代表H、C1-C18-烷基、C6-C18-芳基和/或Mg、Ca、Al、Sb、Sn、Ge、Ti、Fe、Zr、Zn、Ce、Bi、Sr、Mn、Cu、Ni、Li、Na、K、H，其中A代表OH、NH2、NHR、NR2或O—CO—R8，W代表矿酸、羧酸、路易斯酸或有机酸，n是从0到4的整数或分数，催化剂A代表过渡金属和/或过渡金属化合物和/或由过渡金属和/或过渡金属化合物和至少一个配体组成的催化剂体系。还公开了所述二烷基膦酸、酯和盐的用途。
• COMPOSITIONS AND METHODS FOR DETECTION OF EXPLOSIVES
  申请人：Li Jing

  公开号：US20120178173A1

  公开（公告）日：2012-07-12

  This invention provides polymeric coordination compounds capable of forming three-dimensional microporous metal organic frameworks (MMOFs) that are useful for detection of explosive compounds. The polymeric coordination compounds comprise a repeating unit comprising a transition metal coordinated to at least one binding member of a bidentate binding site on each of two polyfunctional ligands and one binding site of a bis-pyridine exodentate bridging ligand, for example, the repeating unit comprising formula [Zn 2 (bpdc) 2 (bpee)] (bpdc=4,4′-biphenyldicarboxylate; bpee=1,2-bipyridylethene). Methods of preparing such polymeric coordination compounds, methods of using them for detection of explosive compounds, and sensors or sensor arrays comprising such polymeric coordination compounds for detection of explosive compounds, especially those comprising one or more nitro (—NO 2 ) groups, are also disclosed.
• US4382131A
  申请人：——

  公开号：US4382131A

  公开（公告）日：1983-05-03
• US8367419B2
  申请人：——

  公开号：US8367419B2

  公开（公告）日：2013-02-05
• US9279085B2
  申请人：——

  公开号：US9279085B2

  公开（公告）日：2016-03-08