[1-(2-phenylethyl)-1H-imidazole-2-yl](4-piperidinyl)methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-(2-phenylethyl)-1H-imidazole-2-yl](4-piperidinyl)methanone
• 英文别名: [1-(2-phenyethyl)-1H-imidazol-2-yl](4-piperidinyl) methanone；[1-(2-phenylethyl)imidazol-2-yl]-piperidin-4-ylmethanone
• 化学式: C₁₇H₂₁N₃O
• 分子量: 283.373
• InChiKey: SWTMPCCYYAWIRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1-(2-phenylethyl)-1H-imidazole-2-yl](4-piperidinyl)methanone 在 三氟甲磺酸 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到11-piperidin-4-ylidene-6,11-dihydro-5H-imidazo[2,1-b]-[3]benzazepine
  参考文献：
  名称：

  [EN] A PROCESS FOR THE PREPARATION OF ALCAFTADINE
  [FR] PROCÉDÉ DE PRÉPARATION D'ALCAFTADINE

  摘要：

  公开了一种改进的阿卡非丁制备过程，以及阿卡非丁的结晶形式或其药用可接受盐的制备过程。同时还公开了一种用于纯化阿卡非丁或其药用可接受盐的过程。

  公开号：

  WO2014083571A1
• 作为产物：
  描述：

  1-苯乙腈咪唑 在 氢溴酸 、 sodium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 0.67h， 生成 [1-(2-phenylethyl)-1H-imidazole-2-yl](4-piperidinyl)methanone
  参考文献：
  名称：

  [EN] A PROCESS FOR THE PREPARATION OF ALCAFTADINE
  [FR] PROCÉDÉ DE PRÉPARATION D'ALCAFTADINE

  摘要：

  公开了一种改进的阿卡非丁制备过程，以及阿卡非丁的结晶形式或其药用可接受盐的制备过程。同时还公开了一种用于纯化阿卡非丁或其药用可接受盐的过程。

  公开号：

  WO2014083571A1

文献信息

• 1-(1,2-disubstituted pipeidinyl)-4-substituted piperidine derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US06346540B1

  公开（公告）日：2002-02-12

  The present invention concerns compounds of formula the N-oxide forms, the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, wherein n is 0, 1 or 2; m is 1 or 2, provided that if m is 2, then n is 1; p is 0, 1 or 2; ═Q is ═O or ═NR3; X is a covalent bond or a bivalent radical of formula —O—, —S—, —NR3—; R1 is Ar1; Ar1C1-6alkyl or di(Ar1)C1-6alkyl, wherein each C1-6alkyl group is optionally substituted with hydroxy, C1-4alkyloxy, oxo or a ketalized oxo substituent of formula —O—CH2—CH2—O— or —O—CH2—CH2—CH2—O—; R2 is Ar2; Ar2C1-6alkyl; Het or HetC1-6alkyl; R3 is hydrogen or C1-6alkyl; R4 is hydrogen; C1-4alkyl; C1-4alkyloxyC1-4alkyl; hydroxyC1-4alkyl; carboxyl; C1-4alkyloxycarbonyl or Ar3; R5 is hydrogen; hydroxy; Ar3; Ar3C1-6alkyloxy; di(Ar3)C1-6alkyloxy; Ar3C1-6alkylthio; di(Ar3)C1-6alkylthio; Ar3C1-6alkylsulfoxy; di(Ar3)C1-6alkylsulfoxy; Ar3C1-6alkylsulfonyl; di(Ar3)C1-6alkylsulfonyl; —NR7R8; C1-6alkyl substituted with —NR7R8; or a radical of formula (a-1) or (a-2); R4 and R5 may also be taken together; R6 is hydroxy; C1-6alkyloxy; C1-6alkyl or Ar3C1-6alkyl; Ar1, Ar2 and Ar3 are phenyl or substituted phenyl; Ar2 is also naphtalenyl; and Het is an optionally substituted monocyclic or bicyclic heterocycle; as substance P antagonists; their preparation, compositions containing them and their use as a medicine.

  本发明涉及以下式的化合物 其中n为0、1或2；m为1或2，但如果m为2，则n为1；p为0、1或2；═Q为═O或═NR3；X为配位键或式的二价基团—O—、—S—、—NR3—；R1为Ar1；Ar1C1-6烷基或二(Ar1)C1-6烷基，其中每个C1-6烷基基团可选择地用羟基、C1-4烷氧基、氧代基或式的缩醛基团取代—O—CH2—CH2—O—或—O—CH2—CH2—CH2—O—；R2为Ar2；Ar2C1-6烷基；Het或HetC1-6烷基；R3为氢或C1-6烷基；R4为氢；C1-4烷基；C1-4烷氧基C1-4烷基；羟基C1-4烷基；羧基；C1-4烷氧羰基或Ar3；R5为氢；羟基；Ar3；Ar3C1-6烷氧基；二(Ar3)C1-6烷氧基；Ar3C1-6烷硫基；二(Ar3)C1-6烷硫基；Ar3C1-6烷磺氧基；二(Ar3)C1-6烷磺氧基；Ar3C1-6烷磺基；二(Ar3)C1-6烷磺基；—NR7R8；用—NR7R8取代的C1-6烷基；或式的基团(a-1)或(a-2)；R4和R5也可结合在一起；R6为羟基；C1-6烷氧基；C1-6烷基或Ar3C1-6烷基；Ar1、Ar2和Ar3为苯基或取代苯基；Ar2也为萘基；Het为可选择地取代的单环或双环杂环；作为P物质拮抗剂；它们的制备、含有它们的组合物以及它们作为药物的用途。
• [EN] A PROCESS OF PREPARING ALCAFTADINE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ALCAFTADINE
  申请人：ENALTEC LABS PVT LTD

  公开号：WO2014087208A2

  公开（公告）日：2014-06-12

  The present invention is related to pure compound of structural formula (VIII), process for the purification of compound of structural formula (VIII) and improved process of preparing alcaftadine compound of structural formula (I).

  本发明涉及结构式（VIII）的纯化合物，结构式（VIII）化合物的纯化方法和制备结构式（I）的阿卡夫他定化合物的改进方法。
• PROCESS OF PREPARING ALCAFTADINE
  申请人：Enaltec Labs Pvt. Ltd.

  公开号：US20150119570A1

  公开（公告）日：2015-04-30

  The present invention is related to pure compound of structural formula (VIII), process for the purification of compound of structural formula (VIII) and improved process of preparing alcaftadine compound of structural formula (I).

  本发明涉及结构式（VIII）的纯化合物、结构式（VIII）化合物的纯化工艺和制备结构式（I）的阿卡法丁化合物的改进工艺。
• Substituted imidazobenzazepines
  申请人：Schering Corporation

  公开号：US05393753A1

  公开（公告）日：1995-02-28

  Compounds of the formula ##STR1## wherein R.sup.1 is H, C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 cycloalkyl, CF.sub.3, aryl, substituted aryl, heteroaryl, -O-C.sub.1 -C.sub.7 alkyl, or -O-C.sub.3 -C.sub.7 cycloalkyl; R.sup.2 and R.sup.3 are each independently H, C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 cycloalkyl, CF.sub.3, NO.sub.2, halogen, OR.sup.7, NR.sup.8 R.sup.9 or S(O).sub.m R.sup.10, wherein m is 0, 1 or 2; R.sup.4 is H, C.sub.1 -C.sub.7 alkyl, arylmethyl, or substituted arylmethyl; R.sup.5 and R.sup.6 are each independently H, C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 cycloalkyl, aryl, substituted aryl, heteroaryl, arylmethyl, substituted arylmethyl, or taken together constitute a chain of (CH.sub.2).sub.k groups, wherein k is 3, 4, or 5; R.sup.7, R.sup.8 and R.sup.9 are each independently H, C.sub.1 -C.sub.7 alkyl, -C(.dbd.O)-(C.sub.1 -C.sub.7 alkyl), -C(.dbd.O)-aryl, or -(C.dbd.O)heteroaryl; R.sup.10 is C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 cycloalkyl, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylmethyl, or substituted arylmethyl; one and only one of the dotted lines, a, b, c, and d, represents a carbon-carbon bond; n is 0, 1, 2 or 3; Z is O or S, Q is CH, N, or NO, with the proviso that Z is not S when Q is NO, or a pharmaceutically acceptable acid addition salt thereof, are described. These compounds are useful as agents in the treatment of asthma and other allergic diseases and in the treatment of inflammation.

  该化合物的式子为##STR1## 其中R.sup.1为H，C.sub.1 -C.sub.7烷基，C.sub.3 -C.sub.7环烷基，CF.sub.3，芳基，取代芳基，杂环芳基，-O-C.sub.1 -C.sub.7烷基或-O-C.sub.3 -C.sub.7环烷基; R.sup.2和R.sup.3各自独立地为H，C.sub.1 -C.sub.7烷基，C.sub.3 -C.sub.7环烷基，CF.sub.3，NO.sub.2，卤素，OR.sup.7，NR.sup.8 R.sup.9或S(O).sub.m R.sup.10，其中m为0，1或2; R.sup.4为H，C.sub.1 -C.sub.7烷基，芳基甲基或取代芳基甲基; R.sup.5和R.sup.6各自独立地为H，C.sub.1 -C.sub.7烷基，C.sub.3 -C.sub.7环烷基，芳基，取代芳基，杂环芳基，芳基甲基，取代芳基甲基，或者一起构成(CH.sub.2).sub.k链，其中k为3、4或5; R.sup.7、R.sup.8和R.sup.9各自独立地为H，C.sub.1 -C.sub.7烷基，-C(.dbd.O)-(C.sub.1 -C.sub.7烷基)，-C(.dbd.O)-芳基或-(C.dbd.O)杂环芳基; R.sup.10为C.sub.1 -C.sub.7烷基，C.sub.3 -C.sub.7环烷基，芳基，取代芳基，杂环芳基，取代杂环芳基，芳基甲基或取代芳基甲基; 点线a、b、c和d中只有一条表示碳-碳键; n为0、1、2或3; Z为O或S，Q为CH、N或NO，但当Q为NO时，Z不为S; 或其药学上可接受的酸盐。这些化合物可用于哮喘和其他过敏性疾病的治疗以及炎症的治疗。
• METHODS FOR THE PREPARATION OF ALCAFTADINE
  申请人：Crystal Pharma S.A.U

  公开号：EP2978765B1

  公开（公告）日：2018-05-02