4-Phenyl-4-(1-piperidinyl)cyclohexanon | 65620-13-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-Phenyl-4-(1-piperidinyl)cyclohexanon
• 英文别名: 4-phenyl-4-(1-piperidinyl)cyclohexanone；4-Phenyl-4-piperidinocyclohexanone；4-phenyl-4-piperidin-1-ylcyclohexan-1-one
• CAS: 65620-13-5
• 化学式: C₁₇H₂₃NO
• 分子量: 257.376
• InChiKey: HBVUBDNRZWJTSB-UHFFFAOYSA-N

物化性质

• 沸点：
  380.5±42.0 °C(Predicted)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Phenyl-4-(1-piperidinyl)cyclohexanon 在 镍 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 25.0 ℃ 、275.79 kPa 条件下， 反应 16.0h， 生成 cis-Ph/Me 1-(1-phenyl-4-methylcyclohexyl)piperidine
  参考文献：
  名称：

  An efficient synthesis of 1-phenyl-1-piperidino-trans-4-methylcyclohexane: Unanticipated total stereoselectivity in the catalytic hydrogenation of an olefin

  摘要：

  DOI：

  10.1016/s0040-4039(01)80977-1
• 作为产物：
  描述：

  4-苯基-4-哌啶环己醇 以 水 、 溶剂黄146 为溶剂， 以93%的产率得到4-Phenyl-4-(1-piperidinyl)cyclohexanon
  参考文献：
  名称：

  Phencyclidine compounds and assays for its determination

  摘要：

  提供了新颖的苯环哌啶羟肟衍生物，作为与蛋白质结合的前体，可用于制备抗体或酶结合物，这些抗体和酶结合物可用作免疫分析中的试剂。抗体和酶结合物的组合提供了对苯环哌啶的敏感、准确、快速的检测方法，而且不受常用药物（如右美沙芬、哌替啶和氯丙嗪）的干扰。

  公开号：

  US04446065A1

文献信息

• Phencyclidine compounds and assays for its determination
  申请人：Syva Company

  公开号：US04446065A1

  公开（公告）日：1984-05-01

  Novel oxime derivatives of phencyclidine are provided as precursors for conjugating proteins, either antigenic for the preparation of antibodies or enzymatic for the preparation of enzyme conjugates, which antibodies and enzyme conjugates find use as reagents in immunoassays. The combination of antibodies and enzyme conjugates provide for sensitive, accurate, rapid assays for phencyclidine without interference from commonly administered drugs, such as dextromethorphan, demerol and chlorpromazine.

  提供了新颖的苯环哌啶羟肟衍生物，作为与蛋白质结合的前体，可用于制备抗体或酶结合物，这些抗体和酶结合物可用作免疫分析中的试剂。抗体和酶结合物的组合提供了对苯环哌啶的敏感、准确、快速的检测方法，而且不受常用药物（如右美沙芬、哌替啶和氯丙嗪）的干扰。
• 4-Amino-4-aryl-cyclohexanones
  申请人：The Upjohn Company

  公开号：US04460604A1

  公开（公告）日：1984-07-17

  A class of 4-amine-4-arylcyclohexanones, their ketals, and acid addition salts have been synthesized and found to be useful for relieving pain in animals. Their analgesic activity appears to be of high order, and in addition some exhibit narcotic antagonist activity that is useful in modifying the cardiovascular, respiratory, and behavioral depression caused by other analgesics. Several show mixed analgesic and narcotic antagonist activity. Preferred compounds of the class are 4-(m-hydroxyphenyl)-4-dimethylaminocyclohexanone ethylene ketal, and 4-(m-hydroxyphenyl)-4-(n-butylmethylamino)cyclohexanone ethylene ketal as free bases and as their hydrochloride salts. Processes for synthesis and intermediates are described. Unit dosage forms and therapeutic treatments are disclosed.

  一类4-氨基-4-芳基环己酮及其缩酮和酸加成盐已经被合成，并发现它们对动物缓解疼痛非常有用。它们的镇痛活性似乎是很高的，此外，一些化合物还表现出镇痛拮抗活性，对于调节其他镇痛药物引起的心血管、呼吸和行为抑制非常有用。几种化合物显示出混合的镇痛和镇痛拮抗活性。该类化合物中的优选化合物是4-(间羟基苯基)-4-二甲氨基环己酮乙烯缩酮和4-(间羟基苯基)-4-(正丁基甲基氨基)环己酮乙烯缩酮，作为自由碱和它们的盐酸盐。描述了合成和中间体的过程。公制剂量形式和治疗方法也被披露。
• Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol
  作者：Stefan Schunk、Klaus Linz、Claudia Hinze、Sven Frormann、Stefan Oberbörsch、Bernd Sundermann、Saskia Zemolka、Werner Englberger、Tieno Germann、Thomas Christoph、Babette-Y. Kögel、Wolfgang Schröder、Stephanie Harlfinger、Derek Saunders、Achim Kless、Hans Schick、Helmut Sonnenschein

  DOI：10.1021/ml500117c

  日期：2014.8.14

  In a previous communication, our efforts leading from 1 to the identification of spiro[cyclohexane-dihydropyrano[3,4-b]indole]-amine 2a as analgesic NOP and opioid receptor agonist were disclosed and their favorable in vitro and in vivo pharmacological properties revealed. We herein report our efforts to further optimize lead 2a, toward trans-6'-fluoro-4',9'-dihydro-N,N-dimethyl-4-phenyl-spiro[cyclohexane-1,1'(3'H)-pyrano[3,4-b]indol]-4-amine (cebranopadol, 3a), which is currently in clinical development for the treatment of severe chronic nociceptive and neuropathic pain.
• LIN, CHENG-I.;SINGH, PRITHIPAL
  作者：LIN, CHENG-I.、SINGH, PRITHIPAL

  DOI：——

  日期：——
• US4065573A
  申请人：——

  公开号：US4065573A

  公开（公告）日：1977-12-27