methyl N-tert-butyl-3-oxoglutaramate | 36414-32-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: methyl N-tert-butyl-3-oxoglutaramate
• 英文别名: methyl 4-tert-butylcarbamoyl-3-oxo-butyrate；N-t.-Butylamid des 3-Ketoglutarsaeuremonomethylesters；methyl 5-(tert-butylamino)-3,5-dioxopentanoate
• CAS: 36414-32-1
• 化学式: C₁₀H₁₇NO₄
• 分子量: 215.249
• InChiKey: ARTRAMWWDOTOFI-UHFFFAOYSA-N

物化性质

• 沸点：
  353.1±22.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl N-tert-butyl-3-oxoglutaramate 生成 (4S,4aR,5aS,12aR)-3,12,12a-Trihydroxy-8,10-dimethoxy-1,11-dioxo-4-thiobenzoylamino-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid tert-butylamide
  参考文献：
  名称：

  Tetracyclines. 10. Chemical-structural properties of tetracycline derivatives. 5. A total synthesis and structural aspects of racemic 8-oxygenated tetracyclines

  摘要：

  DOI：

  10.1021/ja00502a039
• 作为产物：
  描述：

  Acetonedicarboxylic acid monomethyl ester 、 叔丁胺 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以52%的产率得到methyl N-tert-butyl-3-oxoglutaramate
  参考文献：
  名称：

  Highly enantioselective catalytic hydrogenation of a 5-amino-3,5-dioxopentanoic ester

  摘要：

  The highly enantioselective hydrogenation of methyl 4-tert-butylcarbamoyl-3-oxo-butyrate to the corresponding secondary alcohol, representing an interesting chiral building block, for example, for the synthesis of statins, has been investigated in the presence of homogeneous chiral Rh(I) and Ru(II) complexes bearing phosphine ligands. The highest enantioselectivity (up to 96%) was achieved with a [Ru((R)-BINAP)(p-cymene)Cl]Cl complex (sub./cat. ratio 100:1, 5 bar H(2), rt, MeOH). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.018

文献信息

• Amido compounds and process for producing the same
  申请人：——

  公开号：US20010023297A1

  公开（公告）日：2001-09-20

  A 6-aminocarbonylmethyl-4H-2,3-dioxin-4-one compounds can be produced by reacting a 6-halomethyl-4H-2,3-dioxin-4-one compound with a primary or secondary amine and carbon monoxide. The reaction may be carried out in the presence of a catalyst comprising a platinum group metal. 3-oxopentanedicarboxylic acid monoamides and 3-oxopentanedicarboxylic acid amide esters can be are produced by reacting 6-aminocarbonylmethyl-4H-2,3-dioxin-4-one compound with an alcohol or water. Using such intermediates, 6-aminocarbonylmethyl-4H-2,3-dioxin-4-one compound, 3-oxopentanedicarboxylic acid amide esters can provide in an easy and simple and efficient manner.

  6-氨基甲酰基-4H-2,3-二氧杂环戊酮化合物可以通过将6-卤甲基-4H-2,3-二氧杂环戊酮化合物与一次或二次胺和一氧化碳反应来制备。反应可以在铂族金属催化剂的存在下进行。通过将6-氨基甲酰基-4H-2,3-二氧杂环戊酮化合物与醇或水反应，可以生产3-氧代戊二酸单酰胺和3-氧代戊二酸酰胺酯。使用这些中间体，可以以简单高效的方式提供6-氨基甲酰基-4H-2,3-二氧杂环戊酮化合物和3-氧代戊二酸酰胺酯。
• PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES
  申请人：Boerner Armin

  公开号：US20110065920A1

  公开（公告）日：2011-03-17

  The present invention relates to a process for preparing pentanoic diacid derivatives useful for preparing pyrimidine derivatives, in particular as intermediates useful for preparing pyrimidine derivatives of a class that is effective at inhibiting the biosynthesis of cholesterol in humans, such as HMG-CoA reductase inhibitors, e.g. rosuvastatin.

  本发明涉及一种制备戊二酸衍生物的方法，该衍生物用于制备嘧啶衍生物，特别是作为中间体有用于制备一类在人体中抑制胆固醇生物合成的嘧啶衍生物，例如HMG-CoA还原酶抑制剂，例如罗伐司汀。
• Process for preparing pentanoic diacid derivatives
  申请人：Ratiopharm GmbH

  公开号：EP2223909A1

  公开（公告）日：2010-09-01

  The present invention relates to a process for preparing pentanoic diacid derivatives useful for preparing pyrimidine derivatives, in particular as intermediates useful for preparing pyrimidine derivatives of a class that is effective at inhibiting the biosynthesis of cholesterol in humans, such as HMG-CoA reductase inhibitors, e.g. rosuvastatin.

  本发明涉及一种制备戊二酸衍生物的工艺，该衍生物可用于制备嘧啶衍生物，特别是用作制备有效抑制人体胆固醇生物合成的一类嘧啶衍生物（如 HMG-CoA 还原酶抑制剂，如罗伐他汀等）的中间体。
• [EN] PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES<br/>[FR] PROCÉDÉ POUR PRÉPARER DES DÉRIVÉS DE DIACIDE PENTANOÏQUE
  申请人：RATIOPHARM GMBH

  公开号：WO2009027081A3

  公开（公告）日：2009-06-11
• Muxfeldt,H. et al., Angewandte Chemie, 1973, vol. 85, p. 508 - 510
  作者：Muxfeldt,H. et al.

  DOI：——

  日期：——