2-bromo-4-ethylcyclohexanone | 89817-00-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-4-ethylcyclohexanone
• 英文别名: 2-Bromo-4-ethylcyclohexan-1-one
• CAS: 89817-00-5
• 化学式: C₈H₁₃BrO
• 分子量: 205.095
• InChiKey: ZXPNCNMNYIBLCI-UHFFFAOYSA-N

物化性质

• 沸点：
  237.9±33.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-4-ethylcyclohexanone 在 sodium hydroxide 、 selenium 、 PPA 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 3-Ethyldibenzothiophen
  参考文献：
  名称：

  Tedjamulia, Marvin L.; Tominaga, Yoshinori; Castle, Raymond N., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1485 - 1495

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙基环己酮 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 生成 2-bromo-4-ethylcyclohexanone
  参考文献：
  名称：

  喹喔啉类似物的合成

  摘要：

  从环酮开始，通过环酮与N-溴代琥珀酰亚胺（NBS）的α-溴化反应，然后将所得的α-溴代酮与1,2缩合，以高收率合成了取代的三环或四环喹喔啉，三环吡啶并喹喔啉和双喹喔啉。-二氨基苯，3,4-二氨基吡啶或3,3'-二氨基联苯胺。 缩合-卤化-串联反应-杂环-芳烃

  DOI：

  10.1055/s-0030-1260147

文献信息

• Tumor-inhibiting platinum (II) oxalate complexes
  申请人：Keppler Bernhard

  公开号：US20050143455A1

  公开（公告）日：2005-06-30

  A tumor-inhibiting platinum (II) oxalate complex and its use as a therapeutic agent are provided, in particular as a tumor-inhibiting medicament. The complex may be compounds of the general formula (I), wherein the substituents R 1 , R 1′ , R 2 , R 2′ , R 3 , R 3′ , R 4 , and R 4′ are independently selected from the group consisting of hydrogen, unsubstituted or substituted alkyl, unsubstituted or substituted alkenyl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted cycloalkenyl, unsubstituted or substituted aryl and unsubstituted or substituted alkylaryl radicals, the substituents R 5 , R 5′ , R 6 , and R 6′ are independently selected from the group consisting of hydrogen, unsubstituted or substituted alkyl, and unsubstituted or substituted alkenyl radicals, and wherein optionally in each case at least two of the substituents R 1 , R 1′ , R 2 , R 2′ , R 3 , R 3′ , R 4 , and R 4′ can form with one another at least one unsubstituted or substituted alkylene, unsubstituted or substituted alkenylene radical or an unsubstituted or substituted aromatic ring, and wherein optionally at least one of the carbon atoms of the cyclohexane ring bearing the substituents R 1 , R 1′ , R 2 , R 2′ , R 3 , R 3′ , R 4 , and R 4′ is replaced by a heteroatom, and if the heteroatom is oxygen, the substituents R 1 , R 1′ , R 2 , R 2′ , R 3 , R 3′ , R 4 , and R 4′ can additionally be hydroxy radicals, and pharmaceutically compatible salts of them, provided that at least one of the substituents R 1 , R 1′ , R 2 , R 2′ , R 3 , R 3′ , R 4 , or R 4′ is not equal to hydrogen and the substituents R 1 or R 1′ and R 4 or R 4′ do not form any unsubstituted C 1-2 -alkylene radical with one another.

  提供了一种抑制肿瘤的铂(II)草酸配合物及其作为治疗剂的用途，特别是作为抑制肿瘤的药物。该配合物可以是通式(I)的化合物，其中取代基R1、R1'、R2、R2'、R3、R3'、R4和R4'独立地选自氢、未取代或取代的烷基、未取代或取代的烯基、未取代或取代的环烷基、未取代或取代的环烯基、未取代或取代的芳基和未取代或取代的烷基芳基基团的群，取代基R5、R5'、R6和R6'独立地选自氢、未取代或取代的烷基和未取代或取代的烯基基团，且在每种情况下，至少两个取代基R1、R1'、R2、R2'、R3、R3'、R4和R4'可以彼此形成至少一个未取代或取代的烷基、未取代或取代的烯基或未取代或取代的芳香环基团，且可选地，环己烷环上承载取代基R1、R1'、R2、R2'、R3、R3'、R4和R4'的碳原子中至少有一个被杂原子取代，如果杂原子是氧，则取代基R1、R1'、R2、R2'、R3、R3'、R4和R4'还可以是羟基基团，并且其药学上兼容的盐，前提是至少有一个取代基R1、R1'、R2、R2'、R3、R3'、R4或R4'不等于氢，并且取代基R1或R1'和R4或R4'不彼此形成任何未取代的C1-2烷基。
• Synthesis, crystal structure and cytotoxicity of new oxaliplatin analogues indicating that improvement of anticancer activity is still possible
  作者：Mathea S. Galanski、Afshin Yasemi、Susanna Slaby、Michael A. Jakupec、Vladimir B. Arion、Monika Rausch、Alexey A. Nazarov、Bernhard K. Keppler

  DOI：10.1016/j.ejmech.2004.04.003

  日期：2004.8

  Oxaliplatin, (trans-R,R-cyclohexane-1,2-diamine)oxalatoplatinum(II), has recently been approved for combination chemotherapy of metastatic colorectal cancer. Oxaliplatin is significantly more active than its trans-S,S isomer and the mixture of both enantiomers. New oxaliplatin analogues, (SP-4-3)-(4-methyl-trans-cyclohexane-1,2-diamine)oxalatoplatinum(II) and (SP-4-3)-(4-ethyl-trans-cyclohexane1,2-diamine)oxalatoplatinum(II), have been synthesized, and their cytotoxicity has been tested in comparison to oxaliplatin, its corresponding trans-S,S isomer, and the mixture of both enantiomers. In comparison to oxaliplatin, even the trans-R,R/trans-S,S mixture of the 4-methyl and 4-ethyl substituted oxaliplatin analogues have shown an equivalent cytotoxicity in ovarian cancer cells (CH1) and superior antiproliferative properties in colon cancer cells (SW480) in the case of a predominantly equatorial position of the substituent at position 4 of the trans-cyclohexane-1,2-diamine ligand, whereas an axial substitution results in decreased cytotoxic potency. (C) 2004 Elsevier SAS. All rights reserved.
• TEDJAMULIA, M. L.;TOMINAGA, YOSHINORI;CASTLE, R. N.;LEE, M. L., J. HETEROCYCL. CHEM., 1983, 20, N 6, 1485-1495
  作者：TEDJAMULIA, M. L.、TOMINAGA, YOSHINORI、CASTLE, R. N.、LEE, M. L.

  DOI：——

  日期：——
• TUMORHEMMENDE PLATIN(II)-OXALATO-KOMPLEXE
  申请人：Faustus Forschungs Cie. Translational Cancer Research GmbH

  公开号：EP1517911A1

  公开（公告）日：2005-03-30
• US7057059B2
  申请人：——

  公开号：US7057059B2

  公开（公告）日：2006-06-06