(2R)-2-(benzo[b]thiophen-3-yl-methyl)-1-[3,5-bis(trifluoromethyl)benzoyl]piperazine hydrochloride | 169462-74-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R)-2-(benzo[b]thiophen-3-yl-methyl)-1-[3,5-bis(trifluoromethyl)benzoyl]piperazine hydrochloride
• 英文别名: [(2R)-2-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone;hydrochloride
• CAS: 169462-74-2
• 化学式: C₂₂H₁₈F₆N₂OS*ClH
• 分子量: 508.915
• InChiKey: KXIICQPVNAJKTK-UNTBIKODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  60.6
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2R)-2-(benzo[b]thiophen-3-yl-methyl)-4-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperazine 、 1-氯乙基氯甲酸酯 在 ice 、 甲醇 、 碳酸氢钠 、 乙酸乙酯 、 Brine 、 magnesium sulfate 、 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以to afford (2R)-2-(benzo[b]thiophen-3-yl-methyl)-1-[3,5-bis(trifluoromethyl)benzoyl]piperazine hydrochloride (0.69 g)的产率得到(2R)-2-(benzo[b]thiophen-3-yl-methyl)-1-[3,5-bis(trifluoromethyl)benzoyl]piperazine hydrochloride
  参考文献：
  名称：

  Piperazine derivatives

  摘要：

  一种哌嗪化合物，其化学式为：##STR1## 其中：X为羰基或磺酰基；Y为直接键或低碳烷基；R.sub.1，R.sub.2，R.sub.3，R.sub.4如本文所定义。这些化合物可优选用于治疗呼吸系统疾病、眼科疾病和炎症性疾病等，作为缓激肽拮抗剂。

  公开号：

  US05670505A1

文献信息

• Piperazine derivatives as Tachykinin antagonists
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0655442A1

  公开（公告）日：1995-05-31

  A compound of the following general formula : wherein Xis carbonyl or sulfonyl; Yis bond or lower alkylene; R¹is halogen, lower alkyl, halo(lower)alkyl, aryloxy, nitro or amino which may have 1 or 2 and same or different substituent(s) selected from lower alkyl, acyl and lower alkanesulfonyl; R²is aryl or an aromatic hetero(mono- or bi-)cyclic group, and each of which may have 1, 2 or 3 suitable substituent(s); R³is hydrogen or lower alkyl; R⁴is (i) a group of the formula -SO₂-R⁵ in which R⁵ is lower alkyl or aryl optionally substituted with lower alkyl or lower alkoxy, (ii) a group of the formula in which R⁶ is aryl optionally substituted with lower alkyl or lower alkoxy, or (iii) a group of the formula -A-(Z)p in which A  is bond, lower alkylene, lower alkenylene or lower alkynylene, Z  is hydrogen, halogen, hydroxy, nitrile, amino, cyclo(lower)alkyl, aryl, aryloxy, acyl, acylamino, lower alkanesulfonylamino, arylsulfonylamino or an aromatic hetero(mono- or bi-)cyclic group, and each of the cyclic group may have 1, 2 or 3 suitable substituent(s), and p  is 1, 2 or 3; and nis 0, 1 or 2; provided that when n or p is more than 1, these R¹ and Z may be the same or different group respectively; or its pharmaceutically acceptable salt, processes for their preparation and pharmaceutical compositions comprising them.

  通式如下的化合物： 其中 X为羰基或磺酰基 Y为键或低级亚烷基 R¹为卤素、低级烷基、卤代（低级）烷基、芳氧基、硝基或氨基，可有 1 个或 2 个相同或不同的取代基，这些取代基可选自低级烷基、酰基和低级烷磺酰基； R² 是芳基或芳香杂（单或双）环基，每个基团可有 1、2 或 3 个合适的取代基； R³ 是氢或低级烷基； R⁴是 (i) 式中的基团-SO₂-R⁵，其中 R⁵ 是被低级烷基或低级烷氧基任选取代的低级烷基或芳基、 (ii) 式中的基团 其中 R⁶ 是被低级烷基或低级烷氧基任选取代的芳基，或 (iii) 式中的基团-A-(Z)p，其中 A 是键、低级亚烷基、低级亚烯基或低级亚炔基、 Z 是氢、卤素、羟基、腈、氨基、环（低级）烷基、芳基、芳氧基、酰基、酰氨基、低级烷磺酰氨基、芳基磺酰氨基或芳香杂（单或双）环基，且每个环基可具有 1、2 或 3 个合适的取代基，且 p 是 1、2 或 3；以及 n 为 0、1 或 2； 但当 n 或 p 多于 1 时，这些 R¹ 和 Z 可分别为相同或不同的基团；或其药学上可接受的盐、其制备工艺和包含它们的药物组合物。
• PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1107972A1

  公开（公告）日：2001-06-20
• US5670505A
  申请人：——

  公开号：US5670505A

  公开（公告）日：1997-09-23
• US5883098A
  申请人：——

  公开号：US5883098A

  公开（公告）日：1999-03-16
• [EN] NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS<br/>[FR] NOUVEAU PROCEDE DE PREPARATION POUR LA FABRICATION ET LA PURIFICATION DE MELANGES DE COMPOSES DE FLUORANNE, ET SUR LES MATERIAUX D'ENREGISTREMENT EN ETANT FAITS
  申请人：CIBA SC HOLDING AG

  公开号：WO2000012513A1

  公开（公告）日：2000-03-09

  A process for the manufacture of mixtures of fluoran compounds by the reaction of keto acids of formula (II) with a compound of formula (III) in the presence of a dehydrating condensation agent, wherein R1 and R2 independently represent hydrogen; an alkyl of 1-18 carbon, a secondary alkyl with respect to the carbon atom bonded to the nitrogen atom of 3-13 carbon atoms, a cycloalkyl of 4-8 carbon atoms or a phenyl, both of which may be substituted by at least one substituted selected from the group consisting of halogen atoms and alkyls having 1-4 carbon atoms, an aralkyl of 7-10 carbon atoms; or R1 and R2, together with the adjacent nitrogen atom from a heterocyclic ring; R3 is hydrogen, an alkyl of 1-4 carbon atoms, an alkoxy of 1-4 carbon atoms, a phenyl; a substituted phenyl or a halogen; R4 is an alkyl group of 1-18 carbon atoms, a carboxyalkyl of 1-18 carbon atoms, a carboxycycloalkyl of 4-8 carbon atoms, an alkylamino of 1-18 carbon atoms, a cycloalkylamino of 4-8 carbon atoms, a dialkylamino or dicycloalkylamino; an arylamino, a substituted arylamino; an aralkylamino of 7-10 carbon atoms; a diaralkylamino; R5 is an alkyl of 1-18 carbon atoms, a carboxy alkyl of 1-18 carbon atoms or a halogen and R6 is hydrogen or alkyl of 1-4 carbon atoms.