1-(1-Phenylethyl)-1h-imidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1-Phenylethyl)-1h-imidazole
• 英文别名: 1-(1-phenylethyl)imidazole
• 化学式: C₁₁H₁₂N₂
• mdl: MFCD06421434
• 分子量: 172.23
• InChiKey: ZXIUPWHIKAQKOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  溴乙烷 、 1-(1-Phenylethyl)-1h-imidazole 在 氟硼酸钠 作用下， 以 三氯乙烷 、 丙酮 为溶剂， 生成 D-1-ethyl-2-(α-phenylethyl)imidazolium tetrafluoroborate
  参考文献：
  名称：

  由天然氨基酸合成手性离子液体。

  摘要：

  首次通过简单，直接的方法从天然氨基酸合成了一个含有一个手性碳（10a-c）的手性咪唑鎓离子液体。手性IL的特性与流行的离子液体非常相似。

  DOI：

  10.1021/jo020503i
• 作为产物：
  描述：

  α-苯乙胺 在 甲醇 、 L-酒石酸 、 氨 作用下， 生成 1-(1-Phenylethyl)-1h-imidazole
  参考文献：
  名称：

  由天然氨基酸合成手性离子液体。

  摘要：

  首次通过简单，直接的方法从天然氨基酸合成了一个含有一个手性碳（10a-c）的手性咪唑鎓离子液体。手性IL的特性与流行的离子液体非常相似。

  DOI：

  10.1021/jo020503i

文献信息

• Antihistaminic spiro compounds
  申请人：Janssens Eduard Frans

  公开号：US20050026901A1

  公开（公告）日：2005-02-03

  This invention concerns the compounds of formula or a prodrug, a N-oxide, an addition salt, a quaternary amine or a stereochemically isomeric form thereof wherein R 1 , R 2 , —A—B—, L, and n have the meaning given in the description. The invention relates to preparations and compositions of the present compounds and their use as medicines.

  这项发明涉及到式的化合物 或其前药、N-氧化物、加成盐、季铵盐或其立体化异构体，其中R 1 ，R 2 ，—A—B—，L和n的含义如描述中所给出。该发明涉及到所述化合物的制备和组合物，以及它们作为药物的用途。
• [EN] MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS<br/>[FR] MERCAPTOIMIDAZOLES EN TANT QU'AGONISTES DU RECEPTEUR CCR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004069809A1

  公开（公告）日：2004-08-19

  The present invention relates to a compound of formula (I),a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein R1 is hydrogen, C1-6alkyl, C3-7cycloalkyl, aryl or heteroaryl; R2 is halo, C1-6alkyl, C1-6alkyloxy, C1-6alkylthio, polyhaloC1-6alkyl, polyhaloC1-6alkyloxy, cyano, aminocarbonyl, amino, mono-or di(C1-4alkyl)amino, nitro, aryl or aryloxy; R3 is hydrogen, cyano, C1-6alkyl optionally substituted with hydroxy, C(=O)-O-R5, C(=O)-NR6aR6b, S(=O)2-NR6aR6b, C(=O)-R7; R4 is hydrogen, cyano, C1-6alkyl optionally substituted with hydroxy, C(=O)-O-R5, C(=O)-NR6aR6b, S(=O)2-NR6aR6b, C(=O)-R7; n is 1, 2, 3, 4 or 5;provided that at least one of R3 or R4 is other than hydrogen; and that if R3 represents C(=O)-OH, C(=O)-O-C1-6alkyl or C(=O)-O-C2-6alkenyl, then R4 is other than hydrogen; and that if R3 represents CH2OH and R1 represents hydrogen, then R4 is other than hydrogen; and that if R3 represents C(=O)-NH-C1-4alkyl-NH2 and R1 represents hydrogen, then R4 is other than hydrogen; and that if R3 represents formula (II) and R1 represents hydrogen, then R4 is other than hydrogen; having CCR2 receptor antagonistic properties. The invention also relates to processes for preparing the compounds of formula (I) and pharmaceutical compositions comprising them.

  本发明涉及一种式(I)的化合物，一种N-氧化物，一种药学上可接受的加合盐，一种季铵盐及其立体化异构体，其中R1是氢，C1-6烷基，C3-7环烷基，芳基或杂环芳基；R2是卤素，C1-6烷基，C1-6烷氧基，C1-6烷硫基，多卤代C1-6烷基，多卤代C1-6烷氧基，氰基，氨基甲酰基，氨基，单或双(C1-4烷基)氨基，硝基，芳基或芳氧基；R3是氢，氰基，C1-6烷基，可选择地取代羟基的C(=O)-O-R5，C(=O)-NR6aR6b，S(=O)2-NR6aR6b，C(=O)-R7；R4是氢，氰基，C1-6烷基，可选择地取代羟基的C(=O)-O-R5，C(=O)-NR6aR6b，S(=O)2-NR6aR6b，C(=O)-R7；n为1、2、3、4或5；但要求R3或R4至少有一个不是氢；如果R3代表C(=O)-OH，C(=O)-O-C1-6烷基或C(=O)-O-C2-6烯基，则R4不是氢；如果R3代表CH2OH且R1代表氢，则R4不是氢；如果R3代表C(=O)-NH-C1-4烷基-NH2且R1代表氢，则R4不是氢；如果R3代表式(II)且R1代表氢，则R4不是氢；具有CCR2受体拮抗性质。该发明还涉及制备式(I)化合物的方法和包含其的药物组合物。
• [EN] ANTIHISTAMINIC SPIRO COMPOUNDS<br/>[FR] COMPOSES SPIRO ANTIHISTAMINIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000037470A1

  公开（公告）日：2000-06-29

  This invention concerns the compounds of formula (I) a prodrug, a N-oxide, an addition salt, a quaternary amine or a stereochemically isomeric form thereof wherein R1 is hydrogen, C¿1-6?alkyl, halo, formyl, carboxyl, C1-6alkyloxycarbonyl, C1-6alkylcarbonyl, N(R?3R4¿)C(=O)-, N(R3R4)C(=O)N(R5)-, ethenyl substituted with carboxyl or C¿1-6?alkyloxycarbonyl, or C1-6alkyl substituted with hydroxy, carboxyl, C1-6alkyloxy, C1-6alkyloxycarbonyl, N(R?3R4¿)C(=O)-, C¿1-6?alkylC(=O)N(R?5¿)-, C¿1-6?alkylS(=O)2N(R?5¿)- or N(R3R4)C(=O)N(R5)- wherein each R3 and each R4 independently are hydrogen or C¿1-4?alkyl, and R?5¿ is hydrogen or hydroxy; R2 is hydrogen, C¿1-6?alkyl, hydroxyC1-6alkyl, C1-6alkyloxyC1-6alkyl, N(R?3R4¿)C(=O)-, aryl or halo; n is 1 or 2; -A-B- represents a bivalent radical of formula -Y-CH=CH-, -CH=CH-Y-, or -CH=CH-CH=CH-, wherein each hydrogen atom may independently be replaced by R6 wherein R6 is C¿1-6?alkyl, halo, hydroxy, C1-6alkyloxy, ethenyl substituted with carboxyl or C1-6alkyloxycarbonyl, hydroxyC1-6alkyl, formyl, carboxyl or hydroxycarbonylC1-6alkyl, and each Y independently is a bivalent radical of formula -O-, -S- or -NR?7¿-, wherein R7 is hydrogen, C¿1-6?alkyl or C1-6alkylcarbonyl; Z is a bivalent radical of formula -(CH2)p-, -CH=CH-, -CH2-CHOH-, -CH2-O-, -CH2-C(=O), or -CH2-C(=NOH)-, provided that the bivalent radicals are connected to the nitrogen of the imidazole ring via their -CH2- moiety; and wherein p is 1, 2, 3 or 4; L is hydrogen; C1-6alkyl; C2-6alkenyl; C1-6alkylcarbonyl; C1-6alkyloxycarbonyl; C1-6alkyl substituted with hydroxy, carboxyl, C1-6alkyloxy, C1-6alkyloxycarbonyl, aryl, aryloxy, cyano or R?8¿HN- wherein R8 is hydrogen, C¿1-6?alkyl, C1-6alkyloxycarbonyl, C1-6alkylcarbonyl; or L represents a radical of formula -Alk-Y-Het?1¿, -Alk-NH-CO-Het2 or -Alk-Het3 wherein Alk represents C¿1-4?alkanediyl; Y represents O, S or NH; Het?1, Het2¿ and Het3 each represent an optionally substituted heterocycle; for use as a medicine.

  本发明涉及具有式（I）的化合物，它是一种前药、N-氧化物、加成盐、季铵盐或立体化学异构体，其中R1是氢、C1-6烷基、卤素、甲酰基、羧基、C1-6烷氧羰基、C1-6烷基羰基、N（R3R4）C（=O）-、N（R3R4）C（=O）N（R5）-、乙烯基取代的羧基或C1-6烷氧羰基，或C1-6烷基取代的羟基、羧基、C1-6烷氧基、C1-6烷氧羰基、N（R3R4）C（=O）-、C1-6烷基C（=O）N（R5）-、C1-6烷基S（=O）2N（R5）-或N（R3R4）C（=O）N（R5）-，其中每个R3和每个R4独立地是氢或C1-4烷基，而R5是氢或羟基；R2是氢、C1-6烷基、羟基C1-6烷基、C1-6烷氧基C1-6烷基、N（R3R4）C（=O）-、芳基或卤素；n为1或2；-A-B-表示式-Y-CH=CH-，-CH=CH-Y-或-CH=CH-CH=CH-的二价基团，其中每个氢原子可以独立地被R6取代，其中R6是C1-6烷基、卤素、羟基、C1-6烷氧基、乙烯基取代的羧基或C1-6烷氧羰基、羟基C1-6烷基、甲酰基、羧基或羟基羧基C1-6烷基，每个Y独立地是-O-、-S-或-NR7-的式子，其中R7是氢、C1-6烷基或C1-6烷基羰基；Z是式-(CH2)p-、-CH=CH-、-CH2-CHOH-、-CH2-O-、-CH2-C（=O）或-CH2-C（=NOH）-的二价基团，前提是二价基团通过它们的-CH2-部分连接到咪唑环的氮上；其中p为1、2、3或4；L是氢、C1-6烷基、C2-6烯基、C1-6烷基羰基、C1-6烷氧羰基、取代羟基、羧基、C1-6烷氧基、C1-6烷氧羰基、芳基、芳氧基、氰基或R8HN-的C1-6烷基，其中R8是氢、C1-6烷基、C1-6烷氧羰基、C1-6烷基羰基；或L表示式-Alk-Y-Het1，-Alk-NH-CO-Het2或-Alk-Het3，其中Alk表示C1-4烷二基；Y表示O、S或NH；Het1、Het2和Het3各自表示一个可选择取代的杂环；用作药物。
• PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS
  申请人：Arora Sudershan Kumar

  公开号：US20080242676A1

  公开（公告）日：2008-10-02

  Novel pyrrole derivatives of formula (I) and their pharmaceutically acceptable acid addition salts having superior antimycobacterial activity against clinically sensitive as well as resistant strains of Mycobacterium tuberculosis as well as having lesser toxicity compared to known compounds. The use of the novel compounds of formula (I) for treatment of latent tuberculosis including Multi Drug Resistant Tuberculosis (MDR TB). The methods for preparation of the novel compounds, pharmaceutical compositions containing the novel compounds and method of treating MDR TB by administration of compounds of formula (I).

  公式（I）的新型吡咯衍生物及其药学上可接受的酸盐，具有优异的抗结核分枝杆菌活性，可对临床敏感和耐药菌株产生作用，并且与已知化合物相比毒性更小。使用公式（I）的新型化合物治疗潜在结核病，包括多药耐药结核病（MDR TB）。制备新型化合物的方法，含有新型化合物的药物组合物以及通过给予公式（I）化合物治疗MDR TB的方法。
• IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20170247334A1

  公开（公告）日：2017-08-31

  A novel imidazole compound that yields a surface treatment liquid that is very effective at suppressing migration and oxidation of a wiring surface; a metal surface treatment liquid that contains the imidazole compound; a metal surface treatment method that uses the metal surface treatment liquid; and a laminate production method that uses the surface treatment liquid. A metal is surface-treated using the surface treatment liquid which includes a saturated fatty acid or a saturated fatty acid ester of a specific structure, in which a prescribed position is substituted by an aromatic group of a prescribed structure and an imidazolyl group that may have a substituent group.

  一种新型咪唑化合物，可产生一种表面处理液，该液非常有效地抑制导线表面的迁移和氧化；一种含有咪唑化合物的金属表面处理液；一种使用金属表面处理液的金属表面处理方法；以及一种使用表面处理液的层压板生产方法。使用包含饱和脂肪酸或饱和脂肪酸酯的表面处理液对金属进行表面处理，其中，预定位置被预定结构的芳基取代，并且可能带有取代基的咪唑基。