methyl 4-[4-[4-(bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-oxobutyl]-α, α-dimethylphenylacetate | 162096-58-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 4-[4-[4-(bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-oxobutyl]-α, α-dimethylphenylacetate
• 英文别名: Methyl 4-[4-[4-(bis(4-methylphenyl) hydroxymethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate；methyl 2-[4-[4-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
• CAS: 162096-58-4
• 化学式: C₃₅H₄₃NO₄
• 分子量: 541.731
• InChiKey: RSFYLBVXPMDBIF-UHFFFAOYSA-N

物化性质

• 沸点：
  679.7±55.0 °C(predicted)
• 密度：
  1.113±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[4-[4-(bis(4-methylphenyl)hydroxymethyl)-1-piperidinyl]-1-oxobutyl]-α, α-dimethylphenylacetate 以 甲醇 、 sodium borohydrid 、 二氯甲烷 、 氯仿 为溶剂， 生成 Methyl 4-[4-[4-(Bis(4-Methylphenyl)hydroxymethyl)-1-piperidinyl]-1-hydroxybutyl]-α, α-dimethylphenylacetate
  参考文献：
  名称：

  Process for production of piperidine derivatives

  摘要：

  本发明涉及一种通过将带有以下式的吡啶衍生物化合物转化而制备吡啶衍生物的方法：其中m是1到6之间的整数；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；R6和R7相同或不同，选自氢、烷基基团、芳基基团、OR8、SR8和NR8R9的群；X3是卤素、OR15、SR15、NR15R16、OSO2R15或NHSO2R15；R5、R8、R9、R15和R16相同或不同，选自氢、烷基基团和芳基基团的群；A是其环的取代基，选自氢、卤素、烷基、羟基、烷氧基和其他取代基的群。

  公开号：

  US06201124B1

文献信息

• 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##的基本纯品吡啶衍生物化合物。其中，R.sub.1是氢或羟基; R.sub.2是氢; 或R.sub.1和R.sub.2在一起形成连接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，每个环可能不同或相同，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基本纯品吡啶衍生物化合物的方法。
• [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。
• 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。
• PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION
  申请人：D'Ambra Thomas E.

  公开号：US20080227983A1

  公开（公告）日：2008-09-18

  The present invention relates to substantially pure piperidine derivative compounds of the formulae: 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.

  本发明涉及下列式的基本纯度吡啶衍生物化合物： 其中， R1是氢或羟基； R2是氢；或者R1和R2结合形成连接R1和R2的碳原子之间的第二键； R3是—COOH或—COOR4； R4具有1至6个碳原子； A、B和D是它们各自环的取代基，每个取代基可以不同，也可以相同，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基本纯度吡啶衍生物化合物的方法。
• PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES
  申请人：D'AMBRA Thomas E.

  公开号：US20100010227A1

  公开（公告）日：2010-01-14

  The present invention discloses a process for preparing the piperidine derivative compound 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid of formula comprising the sequential steps of: (1) reacting 4-bromo-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene with 4-chlorobutyryl chloride to provide 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene; (2) hydrolyzing said 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene to provide 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid; (3) reacting said 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid with methanol to provide methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate; (4) reacting said methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate with 4-(α,α-diphenyl)piperidinemethanol to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate; (5) reducing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate; and (6) hydrolyzing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate to provide said 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid.

  本发明揭示了一种制备式为4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸的哌啶衍生物化合物的方法，包括以下步骤：(1)将4-溴-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯与4-氯丁酰氯反应，得到4-(4-氯-1-氧代丁基)-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯；(2)水解所述的4-(4-氯-1-氧代丁基)-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯，得到4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸；(3)将所述的4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸与甲醇反应，得到甲基4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸酯；(4)将所述的甲基4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸酯与4-(α,α-二苯基)哌啶甲醇反应，得到甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α,α-二甲基苯乙酸酯；(5)将所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α，α-二甲基苯乙酸酯还原，得到甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯；(6)水解所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯，得到所述的4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸。