4-[4-[4-(二苯基亚甲基)-1-哌啶基]-1-羟基丁基]-α,α-二甲基-苯乙酸 | 1187954-57-9

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-[4-[4-(二苯基亚甲基)-1-哌啶基]-1-羟基丁基]-α,α-二甲基-苯乙酸
• 英文名称: 4-[4-[4-(diphenylmethylene)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylbenzeneacetic acid
• 英文别名: 2-(4-(4-(4-(Diphenylmethylene)piperidin-1-yl)-1-hydroxybutyl)phenyl)-2-methylpropanoic acid；2-[4-[4-(4-benzhydrylidenepiperidin-1-yl)-1-hydroxybutyl]phenyl]-2-methylpropanoic acid
• CAS: 1187954-57-9
• 化学式: C₃₂H₃₇NO₃
• 分子量: 483.651
• InChiKey: BRVDCQYIFNJGSU-UHFFFAOYSA-N

物化性质

• 熔点：
  203-206°C
• 沸点：
  681.4±55.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Process for the production of piperidine derivatives with microorganisms
  申请人：——

  公开号：US20020087003A1

  公开（公告）日：2002-07-04

  The present invention relates to the production of a product compound having a structure according to Formulae IA and/or IB: 1 wherein n is 0 or 1; R 1 is hydrogen or hydroxy; R 2 is hydrogen; or, when n is 0, R 1 and R 2 taken together form a second bond between the carbon atoms bearing R 1 and R 2 , provided that when n is 1, R 1 and R 2 are each hydrogen; R 3 is —COOH or —COOR 4 ; R 4 is an alkyl or aryl moiety; A, B, and D are the substituents of their rings, each of which may be different or the same, and are selected from the group consisting of hydrogen, halogens, alkyl, hydroxy, and alkoxy. This process involves incubating a starting compound having a structure according to Formulae IIA and/or IIB: 2 wherein R 3 is —CH 3 and R 1 , R 2 , A, B, and D are defined above. in the presence of a microorganism under conditions effective to produce the product compound. The microorganism can be from the genus Streptomyces, Stemphylium, Gliocladium, Bacillus, Botrytis, Cyathus, Rhizopus, Pycniodosphora, Psuedomonas, Helicostylum, Aspergillus, Mucor, Gelasinospora, Rhodotorula, Candida, Mycobacterium, or Pennicillium. Alternatively, the microorganism can be Cunninghamella bainieri.

  本发明涉及生产一个化合物，其结构符合公式IA和/或IB，其中n为0或1；R1为氢或羟基；R2为氢；或者，当n为0时，R1和R2共同形成连接R1和R2的碳原子之间的第二个键，但当n为1时，R1和R2均为氢；R3为—COOH或—COOR4；R4为烷基或芳基基团；A、B和D为它们的环的取代基，每个取代基可以不同也可以相同，且选择自氢、卤素、烷基、羟基和烷氧基的群。该过程涉及在微生物的存在下孵育一个具有符合公式IIA和/或IIB的起始化合物，其中R3为—CH3，R1、R2、A、B和D如上所定义，以有效的条件产生产品化合物。该微生物可以来自属于链霉菌、茎腐菌、灰葡萄孢、芽孢杆菌、灰霉菌、杯状孢、根霉菌、小球孢菌、假单胞菌、螺旋菌属、曲霉属、毛霉属、肉座菌属、红酵母、念珠菌、结核分枝杆菌或青霉菌的微生物。或者，该微生物可以是拟青霉属真菌。
• Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease
  申请人：Robinson B. Cynthia

  公开号：US20050026890A1

  公开（公告）日：2005-02-03

  A pharmaceutical or veterinary composition, comprises a first active agent selected from a dehydroepiandrosterone and/or dehydroepiandrosterone-sulfate, or a salt thereof, and a second active agent comprising an antihistamine for the treatment of asthma, chronic obstructive pulmonary disease, or any other respiratory disease. The composition is provided in various formulations and in the form of a kit. The products of this patent are applied to the prophylaxis and treatment of asthma, chronic obstructive pulmonary disease, or any other respiratory disease.

  一种制药或兽医组合物，包括第一活性剂，所述第一活性剂选自去氢表雄酮和/或去氢表雄酮硫酸盐，或其盐，并且第二活性剂包括一种抗组胺药物，用于治疗哮喘、慢性阻塞性肺疾病或任何其他呼吸系统疾病。该组合物以各种制剂和套装形式提供。本专利的产品应用于哮喘、慢性阻塞性肺疾病或任何其他呼吸系统疾病的预防和治疗。
• [EN] PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION<br/>[FR] DERIVES DE PIPERIDINE ET PROCEDES DE PRODUCTION DE CES DERIVES
  申请人：ALBANY MOLECULAR RESEARCH, INC.

  公开号：WO1995000482A1

  公开（公告）日：1995-01-05

  (EN) The present invention relates to substantially pure piperidine derivative compounds of formulae (I) or (II) wherein R1 is hydrogen or hydroxy; R2 is hydrogen; or R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; R3 is -COOH or -COOR4; R4 has 1 to 6 carbon atoms; A, B, and D are the substituents of their respective rings each of which may be different or the same and are hydrogen, halogens, alkyl, hydroxy, alkoxy, or other substituents. A process of preparing such piperidine derivative compounds in substantially pure form is also disclosed.(FR) L'invention se rapporte à des composés dérivés de la pipéridine pratiquement purs, de formules (I) ou (II), dans lesquelles: R1 est hydrogène ou hydroxy; R2 est hydrogène; ou bien R1 et R2 pris ensemble forment une seconde liaison entre les atomes de carbone portant R1 et R2; R3 est -COOH ou -COOR4; R4 a 1 à 6 atomes de carbone; A, B et D sont les substituants de leurs chaînes respectives, chacun pouvant être différent ou identique, et sont hydrogène, halogène, alcoyle, hydroxy, alcoxy, ou d'autres substituants. L'invention se rapporte également au procédé de préparation de tels composés dérivés de la pipéridine sous forme pratiquement pure.

  本发明涉及公式（I）或（II）的实质纯的哌啶衍生物化合物，其中R1为氢或羟基；R2为氢；或者R1和R2一起形成连接R1和R2所在碳原子的第二个键；R3为-COOH或-COOR4；R4具有1至6个碳原子；A、B和D是它们各自环的取代基，每个取代基可以不同或相同，并且是氢、卤素、烷基、羟基、烷氧基或其他取代基。本发明还公开了制备这种实质纯的哌啶衍生物化合物的方法。
• Process for production of piperidine derivatives
  申请人：——

  公开号：US20030171590A1

  公开（公告）日：2003-09-11

  The present invention discloses processes for preparing piperidine derivative compounds of the formulae: 1 wherein n is 0 or 1; R 1 is hydrogen or hydroxy; R 2 is hydrogen; or, when n is 0, R 1 and R 2 taken together form a second bond between the carbon atoms bearing R 1 and R 2 , provided that when n is 1, R 1 and R 2 are each hydrogen; R 3 is —COOH or —COOR 4 ; R 4 is an alkyl or aryl moiety; A, B, and D are the substituents of their rings, each of which may be different or the same, and are selected from the group consisting of hydrogen, halogens, alkyl, hydroxy, alkoxy, and other substituents. One process comprises providing a regioisomer of the following formula: 2 wherein Z is —CG 1 G 2 G 3 , 3 m is an integer from 1 to 6; Q and Y are the same or different and are selected from the group consisting of O, S, and NR 5 ; G 1 , G 2 , and G 3 are the same or different and are selected from the group consisting of OR 8 , SR 8 , and NR 8 R 9 ; X 3 is halogen, OR 15 , SR 15 , NR 15 R 16 , OSO 2 R 15 , or NHSO 2 R 15 ; R 6 and R 7 are the same or different and are selected from the group consisting of hydrogen, an alkyl moiety, an aryl moiety, OR 8 , SR 8 , and NR 8 R 9 ; and R 5 , R 8 , R 9 , R 15 , and R 16 are the same or different and are selected from the group consisting of hydrogen, an alkyl moiety, and an aryl moiety and converting the regioisomer to the piperidine derivative compound with a piperidine compound. Another process for producing piperidine derivative compounds comprises providing an &agr;,&agr;-disubstituted-methylbenzene derivative having the formula: 4 wherein X 1 is a halogen, trialkyl or triaryl tin, trialkyl or triaryl borate, trialkyl silicon, alkylhalo silicon, a substituted sulfonic ester, or substituents useful in organometallic coupling reactions and converting the &agr;,&agr;-disubstituted-methylbenzene derivative to the piperidine derivative compound with a piperidine compound. In yet another process, a 4-(&agr;,&agr;-disubstituted)-toluic acid derivative having the formula: 5 wherein X 2 is a halogen; an alkali metal oxide; a moiety having the formula —OR 10 ; a moiety having the formula —SR 10 ; or an amine; and R 10 is selected from the group consisting of hydrogen, an alkyl moiety, and an aryl moiety is provided and converted to the piperidine derivative compound with a piperidine compound.

  本发明披露了制备以下式的哌啶衍生物化合物的过程：其中n为0或1；R1为氢或羟基；R2为氢；或者当n为0时，R1和R2在承载R1和R2的碳原子之间形成第二个键，但当n为1时，R1和R2分别为氢；R3为—COOH或—COOR4；R4为烷基或芳基基团；A、B和D为它们的环的取代基，每个取代基可以不同或相同，并且从氢、卤素、烷基、羟基、烷氧基和其他取代基的群中选择。其中一种过程包括提供以下式的区域异构体：其中Z为—CG1G2G3，3m为1到6的整数；Q和Y相同或不同，选自O、S和NR5的群；G1、G2和G3相同或不同，选自OR8、SR8和NR8R9的群；X3为卤素、OR15、SR15、NR15R16、OSO2R15或NHSO2R15；R6和R7相同或不同，选自氢、烷基基团、芳基基团、OR8、SR8和NR8R9；以及R5、R8、R9、R15和R16相同或不同，选自氢、烷基基团和芳基基团，并将区域异构体转化为哌啶衍生物化合物。另一种制备哌啶衍生物化合物的方法包括提供具有以下式的α，α-二取代甲基苯衍生物：其中X1为卤素、三烷基或三芳基锡、三烷基或三芳基硼酸酯、三烷基硅、烷基卤硅、取代磺酸酯或有机金属偶合反应中有用的取代基，并用哌啶化合物将α，α-二取代甲基苯衍生物转化为哌啶衍生物化合物。在另一种方法中，提供具有以下式的4-（α，α-二取代）-甲苯酸衍生物：其中X2为卤素；碱金属氧化物；具有式—OR10的基团；具有式—SR10的基团；或者胺；并用哌啶化合物将其转化为哌啶衍生物化合物。
• Piperidine derivatives and process for their production
  申请人：——

  公开号：US20030018196A1

  公开（公告）日：2003-01-23

  The present invention relates to substantially pure piperidine derivative compounds of the formulae: 1 wherein R 1 is hydrogen or hydroxy; R 2 is hydrogen; or R 1 and R 2 taken together form a second bond between the carbon atoms bearing R 1 and R 2 ; R 3 is —COOH or —COOR 4 ; R 4 has 1 to 6 carbon atoms; A, B, and D are the substituents of their respective rings each of which may be different or the same and are hydrogen, halogens, alkyl, hydroxy, alkoxy, or other substituents. A process of preparing such piperidine derivative compounds in substantially pure form is also disclosed.

  本发明涉及公式1的基本纯的哌啶衍生物化合物： 其中，R1为氢或羟基；R2为氢；或R1和R2共同形成连接R1和R2的碳原子之间的第二个键；R3为—COOH或—COOR4；R4具有1至6个碳原子；A、B和D是它们各自环的取代基，每个取代基可以不同或相同，且为氢、卤素、烷基、羟基、烷氧基或其他取代基。 本发明还公开了制备这种基本纯的哌啶衍生物化合物的方法。