4-[4-[4-(Bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α, α-dimethylphenylacetic Acid | 162096-60-8

• 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: 4-[4-[4-(Bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α, α-dimethylphenylacetic Acid
• 英文别名: 4-[4-[4(Bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylphenylacetic acid；2-[4-[1-hydroxy-4-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
• CAS: 162096-60-8
• 化学式: C₃₄H₄₃NO₄
• 分子量: 529.72
• InChiKey: LMPCSCOVKHFVKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  81
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 Methyl 4-[4-[4-(Bis(4-Methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α, α-dimethylphenylacetate 、 、 sodium hydroxide 在 甲醇 、 盐酸 、 乙酸乙酯 、 乙醚 作用下， 以 水 为溶剂， 反应 3.0h， 以to provide 1.8 g (34%) of 4-[4-[4-(bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid的产率得到4-[4-[4-(Bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α, α-dimethylphenylacetic Acid
  参考文献：
  名称：

  Piperidine derivatives and process for their production

  摘要：

  本发明涉及以下式子的几乎纯的哌啶衍生物化合物： 其中， R1是氢或羟基； R2是氢；或者R1和R2结合形成负载R1和R2的碳原子之间的第二个键； R3是—COOH或—COOR4； R4具有1至6个碳原子； A、B和D是它们各自环上的取代基，每个取代基可以不同或相同，它们是氢、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几乎纯的哌啶衍生物化合物的方法。

  公开号：

  US20060052610A1

文献信息

• [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。
• Aromatic ketones
  申请人：Albany Molecular Research, Inc.

  公开号：US05663412A1

  公开（公告）日：1997-09-02

  The present invention relates to substantially pure piperidine derivative compounds of the formulae: ##STR1## wherein R.sub.1 is hydrogen or hydroxy; R.sub.2 is hydrogen; or R.sub.1 and R.sub.2 taken together form a second bond between the carbon atoms bearing R.sub.1 and R.sub.2 ; R.sub.3 is --COOH or --COOR.sub.4 ; R.sub.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.

  本发明涉及以下式的基本纯丁啉衍生物化合物：##STR1## 其中，R.sub.1是氢或羟基；R.sub.2是氢；或R.sub.1和R.sub.2在承载R.sub.1和R.sub.2的碳原子之间形成第二键；R.sub.3是--COOH或--COOR.sub.4；R.sub.4具有1到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，是氢、卤素、烷基、羟基、烷氧基或其他取代基。还公开了制备这种基本纯的吡啶衍生物化合物的方法。
• Piperidine derivatives
  申请人：Albany Molecular Research, Inc.

  公开号：US05578610A1

  公开（公告）日：1996-11-26

  The present invention relates to substantially pure piperidine derivative compounds of the formulae: ##STR1## wherein R.sub.1 is hydrogen or hydroxy; R.sub.2 is hydrogen; or R.sub.1 and R.sub.2 taken together form a second bond between the carbon atoms bearing R.sub.1 and R.sub.2 ; R.sub.3 is --COOH or --COOR.sub.4 ; R.sub.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.

  本发明涉及公式为： ##STR1## 的基本纯的吡啶衍生物化合物，其中R.sub.1是氢或羟基; R.sub.2是氢; 或R.sub.1和R.sub.2共同形成连接R.sub.1和R.sub.2的碳原子之间的第二个键; R.sub.3是--COOH或--COOR.sub.4; R.sub.4具有1到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，包括氢、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吡啶衍生物化合物的方法。
• Aromatic ketones and processes for their preparation
  申请人：Albany Molecular Research, Inc.

  公开号：US05581011A1

  公开（公告）日：1996-12-03

  The present invention relates to substantially pure piperidine derivative compounds of the formulae: ##STR1## wherein R.sub.1 is hydrogen or hydroxy; R.sub.2 is hydrogen; or R.sub.2 and R.sub.2 taken together form a second bond between the carbon atoms bearing R.sub.1 and R.sub.2 ; R.sub.3 is --COOH or --COOR.sub.4 ; R.sub.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.

  本发明涉及以下公式的基本纯度吡啶衍生物化合物：##STR1##其中，R.sub.1是氢或羟基；R.sub.2是氢；或R.sub.2和R.sub.2共同形成承载R.sub.1和R.sub.2的碳原子之间的第二个键；R.sub.3是--COOH或--COOR.sub.4；R.sub.4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，是氢、卤素、烷基、羟基、烷氧基或其他取代基。还公开了制备这种基本纯度吡啶衍生物化合物的方法。