N-tert-butoxycarbonyl-N-tert-butylglycinal | 156591-79-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-tert-butoxycarbonyl-N-tert-butylglycinal
• 英文别名: 1,1-dimethylethyl N-(1,1-dimethylethyl)-N-(2-oxoethyl)carbamate；tert-butyl N-tert-butyl-N-(2-oxoethyl)carbamate
• CAS: 156591-79-6
• 化学式: C₁₁H₂₁NO₃
• mdl: MFCD24469702
• 分子量: 215.293
• InChiKey: KUADEIPKYZMRBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-(RS)-N-(4-amino-1-phenylcyclohexyl)-α-methyl-3,5-bis(trifluoromethyl) benzeneacetamide 、 N-tert-butoxycarbonyl-N-tert-butylglycinal 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 66.0h， 以83%的产率得到trans-(RS)-α-methyl-N-{4({N-[(1,1-dimethylethoxy)carbonyl]-1,1-(dimethylethyl)amino}ethylamino)-1-phenylcyohexyl}-3,5-bis(trifluoromethyl)benzeneacetamide
  参考文献：
  名称：

  Cyclohexane derivatives and their use as therapeutic agents

  摘要：

  本发明涉及式(I)的化合物，其中环A是苯环或吡啶环；X代表从以下式组成的选择性连接物：(a)、(b)、(c)、(d)和(e)；以及R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R17、R21a和R21b如本文所定义。这些化合物特别适用于治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。

  公开号：

  US20030236250A1
• 作为产物：
  描述：

  N-[(1,1-Dimethylethoxy)carbonyl]-N-(1,1-dimethylethyl)glycine methyl ester 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以86%的产率得到N-tert-butoxycarbonyl-N-tert-butylglycinal
  参考文献：
  名称：

  Cyclohexane derivatives and their use as therapeutic agents

  摘要：

  本发明涉及式(I)的化合物，其中环A是苯环或吡啶环；X代表从以下式组成的选择性连接物：(a)、(b)、(c)、(d)和(e)；以及R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R17、R21a和R21b如本文所定义。这些化合物特别适用于治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。

  公开号：

  US20030236250A1

文献信息

• Arylglycinamide derivatives and preparative processes therefor
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US05439919A1

  公开（公告）日：1995-08-08

  Arylglycinamide derivatives represented by a general formula (1) ##STR1## (wherein Ar denotes a phenyl group which may have 1 to 3 substituents or naphthyl group which may have 1 to 3 substituents, R.sub.1 and R.sub.4 denote identically or differently hydrogen atoms or lower alkyl groups with 1 to 3 carbon atoms, R.sub.2 denotes a lower alkyl group with 1 to 6 carbon atoms, cycloalkyl group with 3 to 6 carbon atoms, lower alkyl group with 1 to 4 carbon atoms which may have a phenyl group which may have 1 to 3 substituents, norbornyl group, adamantyl group or phenyl group which may have 1 to 3 substituents, R.sub.3 denotes a hydrogen atom or lower alkyl group with 1 to 6 carbon atoms or it may form a ring constituting alkylene together with R.sub.2, R.sub.5 denotes a lower alkyl group with 1 to 6 carbon atoms or cycloalkyl group with 5 or 6 carbon atoms, R.sub.6 denotes a hydrogen atom or lower alkyl group with 1 to 6 carbon atoms or it may form a ring constituting alkylene together with R.sub.5, and m denotes 2 or 3), and their salts, which function as effective therapeutic drugs for the dysurias such as urinary incontinence and pollakiuria, and the preparative processes therefor are presented.

  通式（1）所代表的芳基甘氨酸衍生物 ##STR1## （其中Ar表示苯基，可能有1-3个取代基，或萘基，可能有1-3个取代基；R.sub.1和R.sub.4表示相同或不同的氢原子或1-3个碳原子的低碳基；R.sub.2表示1-6个碳原子的低碳基，3-6个碳原子的环烷基，1-4个碳原子的低碳基，可能有1-3个取代基的苯基，莽环基，金刚烷基或可能有1-3个取代基的苯基；R.sub.3表示氢原子或1-6个碳原子的低碳基，或者它可以与R.sub.2形成构成烷基的环；R.sub.5表示1-6个碳原子的低碳基或5-6个碳原子的环烷基；R.sub.6表示氢原子或1-6个碳原子的低碳基，或者它可以与R.sub.5形成构成烷基的环；m表示2或3），以及它们的盐，作为治疗排尿困难（如尿失禁和尿频）的有效药物，本文介绍了它们的制备过程。
• [EN] CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] DERIVES DE CYCLOHEXYLE ET LEUR UTILISATION COMME AGENTS THERAPEUTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2001087838A1

  公开（公告）日：2001-11-22

  The present invention relates compounds of formula (I), wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of formulae: (a), (b), (c), (d), and (e); and R?1, R2, R3, R4, R5, R6, R7, R13, R14, R15, R16, R17, R21a and R21b¿ are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

  本发明涉及公式（I）的化合物，其中环A是苯环或吡啶环；X代表从公式（a）、（b）、（c）、（d）和（e）组成的链连接物；R?1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R17、R21a和R21b¿如本文所定义。该化合物特别适用于治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。
• Novel arylglycinamide derivatives and preparative processes therefor and their use for treatment of dysuria
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0581167A1

  公开（公告）日：1994-02-02

  Arylglycinamide derivatives represented by a general formula (1) (wherein Ar denotes a phenyl group which may have 1 to 3 substituents or naphthyl group which may have 1 to 3 substituents, R₁ and R₄ denote identically or differently hydrogen atoms or lower alkyl groups with 1 to 3 carbon atoms, R₂ denotes a lower alkyl group with 1 to 6 carbon atoms, cycloalkyl group with 3 to 6 carbon atoms, lower alkyl group with 1 to 4 carbon atoms which may have a phenyl group which may have 1 to 3 substituents, norbornyl group, adamantyl group or phenyl group which may have 1 to 3 substituents, R₃ denotes a hydrogen atom or lower alkyl group with 1 to 6 carbon atoms or it may form a ring constituting alkylene together with R₂, R₅ denotes a lower alkyl group with 1 to 6 carbon atoms or cycloalkyl group with 5 or 6 carbon atoms, R₆ denotes a hydrogen atom or lower alkyl group with 1 to 6 carbon atoms or it may form a ring constituting alkylene together with R₅, and m denotes 2 or 3), and their salts, which function as effective therapeutic drugs for the dysurias such as urinary incontinence and pollakiuria, and the preparative processes therefor are presented.

  通式(1)代表的芳基甘氨酰胺衍生物 (其中 Ar 表示可能具有 1 至 3 个取代基的苯基或可能具有 1 至 3 个取代基的萘基，R₁ 和 R₄ 表示相同或不同的氢原子或具有 1 至 3 个碳原子的低级烷基，R₂ 表示具有 1 至 6 个碳原子的低级烷基、R₂ 表示具有 1-6 个碳原子的低级烷基、具有 3-6 个碳原子的环烷基、具有 1-4 个碳原子的低级烷基（其中可能具有 1-3 个取代基的苯基）、降冰片基、金刚烷基或具有 1-3 个取代基的苯基、R₃ 表示氢原子或 1 至 6 个碳原子的低级烷基，或可与 R₂ 一起形成环，构成亚烷基，R₅ 表示 1 至 6 个碳原子的低级烷基或 5 或 6 个碳原子的环烷基、R₆表示氢原子或具有 1 至 6 个碳原子的低级烷基，或与 R₅ 共同构成亚烷基环，且 m 表示 2 或 3）及其盐类，可作为治疗尿失禁和花粉尿等排尿障碍的有效药物，并介绍了其制备工艺。
• CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1286967B1

  公开（公告）日：2006-09-27
• US5439919A
  申请人：——

  公开号：US5439919A

  公开（公告）日：1995-08-08