Benztropol | 99845-81-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: Benztropol
• 英文别名: 5H-benzo[7]annulen-5-ol
• CAS: 99845-81-5
• 化学式: C₁₁H₁₀O
• 分子量: 158.2
• InChiKey: ISNDAOIQGSVQNC-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：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Benztropol 在 甲醇 、 dihydrogen hexachloroplatinate 、 乙醚 作用下， 生成 benzocycloheptenylium; hexachloroplatinate (IV)
  参考文献：
  名称：

  苄菌属系列的研究。VII。2,3-苯甲酮和苯乙铵阳离子

  摘要：

  描述了苯并异丙基阳离子和2，3-苯并丙酮的制备及其一些理化性质。

  DOI：

  10.1002/hlca.19570400410
• 作为产物：
  描述：

  5H-benzocyclohepten-5-one 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 Benztropol
  参考文献：
  名称：

  芳烃基1,3-二甲基-10-苯基环庚[4,5]吡咯并[2,3- d ]嘧啶-2,4（1,3 H）-二ony鎓离子的合成，性质及氧化能力

  摘要：

  新颖areno -环-1,3-二甲基-10- phenylcyclohepta [4,5]吡咯并[2,3- d ]嘧啶-2,4（1,3 ħ）-dionylium离子12A，B + · BF 4 -和图16A + · BF 4 -通过三步反应合成苯并[ b ]托托酮和萘并[2,3- d ]托特酮与6-苯胺基-1,3-二甲基尿嘧啶的反应。通过检查UV-vis和NMR光谱数据以及X射线晶体分析，可以弄清12a，b +和16a +的结构特征。阳离子12a，b +和16a +的稳定性由p K R +值表示，该值由分光光度法确定为ca。0.5-9.0。萘[ b ]托乙铵离子4 +的p K R +值澄清为更低，<0。在循环伏安法（CV）下，电化学还原12a，b +和16a +在-0.46至-0.67（V vs. Ag / AgNO 3）上表现出还原电位。苯并trop离子和阳离子4 +的还原电位分别为-0

  DOI：

  10.1021/jo051777j

文献信息

• The reaction of benzotropenium ion, 1,2-benzocycloheptatriene-7-methyl ether and 3,4-benzocycloheptatriene-7-methyl ether with methyl and 2-propyl grignard reagents
  作者：D.J. Bertelli、W.J. Rossiter

  DOI：10.1016/0040-4020(68)88011-1

  日期：——

  2-benzocycloheptatriene-7-methyl ether. This sole product results from an equilibrium and not a kinetic controlled process. The reaction of benzotropenium ion with MeMgI leads to approximately an equal mixture of 7-methyl-1,2-and 7-methyl-3,4-benzocycloheptatriene. Essentially the same product ratio is derived from the reaction of 3,4-benzocycloheptatriene-7-methyl ether with MeMgI, while 1,2-benzocy

  苯trop离子与甲醇钠反应仅生成1,2-苯并环庚三烯-7-甲基醚。唯一的产品来自平衡而不是动力学控制的过程。苯并trop离子与MeMgI的反应导致7-甲基-1,2-和7-甲基-3,4-苯并环庚三烯的混合物大致相等。从3，4-苯并环庚三烯-7-甲基醚与MeMgI的反应中基本上得到相同的产物比例，而1,2-苯并环庚三烯-7-甲基醚主要产生7-甲基-1,2-苯并环庚三烯。
• N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS
  申请人：Smithkline Beecham S.p.A.

  公开号：EP1129072A2

  公开（公告）日：2001-09-05
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：SMITHKLINE BEECHAM SPA

  公开号：WO2000027815A2

  公开（公告）日：2000-05-18

  Compounds of formula (I) or a salt thereof or a hydrate thereof, as follows: wherein X and Y are selected independently from hydrogen and aryl, which aryl is unsubstituted or substituted one or more times by hydroxy, hydroxyC1-6alkyl, C1-6alkoxyC1-6alkyl, aryl, heterocyclyl, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkoxy, C1-6alkyl, C1-6alkoxy or halo, which alkyl or alkoxy groups are unsubstituted or substituted one or more times by halo; m and n are independently 0 to 3, provided that m and n are not both 0; A represents a single bond or is -(CRpa Rpb)p- wherein p is 1-3 and Rpa and Rpb are selected independently from hydrogen, C1-6alkyl, C1-6alkoxy and halo, which alkyl or alkoxy groups are independently substituted one or more times by halo; B represents a C4-8 saturated or unsaturated ring, which ring is unsubstituted or substituted one or more times by C1-6alkyl, C1-6alkoxy, aryl, aryloxy, hydroxy, oxo, halo, amino, C1-6alkylamino, di(C1-6alkyl)amino, and C1-6alkylamido, which C1-6alkyl or C1-6alkoxy groups are unsubstituted or substituted one or more times by halo, which aryl group is unsubstituted or substituted one or more times by aryl, heterocyclyl, aryloxy, arylC1-6alkoxy, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkyl, hydroxy, C1-6alkenoxy, C1-6alkoxy, halo, or C1-6, which C1-6alkyl may be substituted one or more times by halo, and which aryl group is linked to said ring by a single bond or is benzo-condensed therewith are ligands of the ORL-1 receptor.
• Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-<i>d</i>]pyrimidine- 2,4(1,3<i>H</i>)-dionylium Ions
  作者：Shin-ichi Naya、Hiroshi Ohtoshi、Makoto Nitta

  DOI：10.1021/jo051777j

  日期：2006.1.1

  were synthesized by three-step reactions, starting from the reactions of benzo[b]tropone and naphtho[2,3-d]tropone with 6-anilino-1,3-dimethyluracil. Structural characteristics of 12a,b+ and 16a+ were clarified on inspection of the UV−vis and NMR spectral data as well as by X-ray crystal analyses. The stability of cations 12a,b+ and 16a+ is expressed by the pKR+ values which were determined spectrophotometrically

  新颖areno -环-1,3-二甲基-10- phenylcyclohepta [4,5]吡咯并[2,3- d ]嘧啶-2,4（1,3 ħ）-dionylium离子12A，B + · BF 4 -和图16A + · BF 4 -通过三步反应合成苯并[ b ]托托酮和萘并[2,3- d ]托特酮与6-苯胺基-1,3-二甲基尿嘧啶的反应。通过检查UV-vis和NMR光谱数据以及X射线晶体分析，可以弄清12a，b +和16a +的结构特征。阳离子12a，b +和16a +的稳定性由p K R +值表示，该值由分光光度法确定为ca。0.5-9.0。萘[ b ]托乙铵离子4 +的p K R +值澄清为更低，<0。在循环伏安法（CV）下，电化学还原12a，b +和16a +在-0.46至-0.67（V vs. Ag / AgNO 3）上表现出还原电位。苯并trop离子和阳离子4 +的还原电位分别为-0
• Untersuchungen in der Benztropylium-Reihe. VII. 2,3-Benztropon und Benztropylium-Kation
  作者：H. H. Rennhard、G. Di Modica、W. Simon、E. Heilbronner、A. Eschenmoser

  DOI：10.1002/hlca.19570400410

  日期：——

  The preparation and some of the physico-chemical properties of the benzotropylium cation and of 2,3-benzotropone are described.

  描述了苯并异丙基阳离子和2，3-苯并丙酮的制备及其一些理化性质。