4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐 | 76811-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐
• 英文名称: 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid, ethyl ester hydrochloride
• 英文别名: ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetate hydrochloride；Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochloride；ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate;hydrochloride
• CAS: 76811-96-6
• 化学式: C₃₄H₄₁NO₄*ClH
• mdl: MFCD07782108
• 分子量: 564.165
• InChiKey: XAGIKTXVRKZQRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.411
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐 在 sodium hydroxide 、 sodium tetrahydroborate 、 盐酸 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 反应 4.25h， 以91.5%的产率得到盐酸非索非那定
  参考文献：
  名称：

  Process for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives

  摘要：

  本发明涉及一种新型的制备哌啶衍生物的无水和水合形式，其多晶形态和假晶形态的方法，所述哌啶衍生物的化学式可用作抗组胺剂、抗过敏剂和支气管扩张剂。

  公开号：

  EP1178041A1
• 作为产物：
  描述：

  4-(4-氯-1-氧代丁基)-alpha,alpha-二甲基苯乙酸乙酯 、 α,α-二苯基-4-哌啶甲醇 以 xylene 为溶剂， 反应 5.5h， 生成 4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐
  参考文献：
  名称：

  Intermediates useful for the preparation of antihistaminic piperidine derivatives

  摘要：

  本发明涉及一种新型中间体和过程，该中间体和过程在制备某些抗组胺酸哌啶衍生物的过程中非常有用，其化学式为 其中 W代表—C(═O)—或—CH(OH)—; R1代表氢或羟基; R2代表氢; R1和R2一起形成连接R1和R2的碳原子之间的第二键; n为1至5的整数; m为0或1的整数; R3为—COOH或—COO烷基，其中烷基基团具有1至6个碳原子，直链或支链，A的每个是氢或羟基;以及其药用可接受盐和各自的光学异构体， 但是当R1和R2一起形成连接R1和R2的碳原子之间的第二键或当R1代表羟基时，m为0。

  公开号：

  US06348597B2

文献信息

• Intermediates useful for the preparation of antihistaminic piperidine derivatives
  申请人：Merrell Pharmaceuticals, Inc.

  公开号：US06348597B2

  公开（公告）日：2002-02-19

  The present invention is related to a novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of the formula wherein W represents —C(═O)— or —CH(OH)—; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is —COOH or —COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新型中间体和过程，该中间体和过程在制备某些抗组胺酸哌啶衍生物的过程中非常有用，其化学式为 其中 W代表—C(═O)—或—CH(OH)—; R1代表氢或羟基; R2代表氢; R1和R2一起形成连接R1和R2的碳原子之间的第二键; n为1至5的整数; m为0或1的整数; R3为—COOH或—COO烷基，其中烷基基团具有1至6个碳原子，直链或支链，A的每个是氢或羟基;以及其药用可接受盐和各自的光学异构体， 但是当R1和R2一起形成连接R1和R2的碳原子之间的第二键或当R1代表羟基时，m为0。
• Piperidine derivatives
  申请人：Richardson-Merrell Inc.

  公开号：US04254130A1

  公开（公告）日：1981-03-03

  Pharmaceutically useful compounds of the following formula: ##STR1## wherein R.sub.1 represents hydrogen or hydroxy; R.sub.2 represents 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 ; n is a positive whole integer of from 1 to 5; R.sub.3 is --CH.sub.3, --CH.sub.2 OH, --COOH or --COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; and A and B are individually hydrogen or hydroxy; with the provisos that at least one of A or B is hydrogen and one of A or B is other than hydrogen when R.sub.3 is --CH.sub.3 ; and pharmaceutically acceptable acid addition salts thereof.

  以下化学式的药用化合物：##STR1## 其中R.sub.1代表氢或羟基；R.sub.2代表氢；或者R.sub.1和R.sub.2一起形成承载R.sub.1和R.sub.2的碳原子之间的第二个键；n是从1到5的正整数；R.sub.3是--CH.sub.3，--CH.sub.2 OH，--COOH或--COOalkyl，其中烷基基团有1到6个碳原子，并且是直链或支链；A和B分别是氢或羟基；但至少A或B中的一个是氢，当R.sub.3是--CH.sub.3时，A或B中的一个不是氢；及其药用可接受的酸盐。
• Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof
  申请人：——

  公开号：US20030022919A1

  公开（公告）日：2003-01-30

  This invention relates to novel piperidine derivatives of formula (I) and a process for the preparation thereof. 1 wherein R 1 is H or C 1 -C 6 alkyl wherein the C 1 -C 6 alkyl moiety is straight or branched; R 2 is —COOH or —COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; or stereoisomers or pharmaceutically acceptable acid addition salt thereof.

  这项发明涉及到公式（I）的新型哌啶衍生物以及其制备方法。其中R1为H或C1-C6烷基，其中C1-C6烷基基团是直链或支链；R2为—COOH或—COO烷基，其中烷基基团含有1至6个碳原子且为直链或支链；或其立体异构体或药学上可接受的酸盐。
• [EN] PROCESSES FOR PREPARING ANHYDROUS AND HYDRATE FORMS OF ANTIHISTAMINIC PIPERIDINE DERIVATIVES, POLYMORPHS AND PSEUDORMOPHS THEREOF<br/>[FR] PROCEDES DE PREPARATION DE FORMES ANHYDRES ET HYDRATEES DE DERIVES DE PIPERIDINE ANTIHISTAMINIQUES, POLYMORPHES ET PSEUDOMORPHES DE CES DERNIERES
  申请人：HOECHST MARRION ROUSSEL, INC.

  公开号：WO1995031437A1

  公开（公告）日：1995-11-23

  (EN) The present invention is related to novel processes for preparing anhydrous and hydrated forms of piperidine derivatives, polymorphs and pseudomorphs thereof of formulae (I) and (II) which are useful as antihistamines, antiallergic agents and bronchodilators.(FR) Nouveaux procédés de préparation de formes anhydres et hydratées de dérivés de pipéridine, polymorphes et pseudomorphes de ces dernières répondant aux formules (I) et (II). Les substances préparées selon les procédés de cette invention sont utiles comme antihistaminiques, agents antiallergiques et bronchodilatateurs.

  该发明涉及一种新型工艺，用于制备式（I）和式（II）的哌啶衍生物的无水和水合形式，其多晶形和假晶形，这些化合物可用作抗组胺剂，抗过敏剂和支气管扩张剂。
• Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives
  申请人：Aventisub II Inc.

  公开号：EP2261208A1

  公开（公告）日：2010-12-15

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) wherein W represents -C(=O)- or -CH(OH)-; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is -COOH or -COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新型中间体和制备某些抗组胺哌啶衍生物的方法，其化学式为(I)，其中W代表-C（=O）-或-CH（OH）-；R1代表氢或羟基；R2代表氢；R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键；n为1至5的整数；m为0或1的整数；R3为-COOH或-COOalkyl，其中烷基具有1至6个碳原子，是直链或支链；每个A是氢或羟基；以及其药学上可接受的盐和单一光学异构体，但当R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键或当R1代表羟基时，m为0。