N-(tert-butoxycarbonyl)-N-methyl-β-alaninamide | 347190-28-7

• 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-methyl-β-alaninamide
• 英文别名: tert-butyl N-(3-amino-3-oxo-propyl)-N-methyl-carbamate；tert-butyl (3-amino-3-oxopropyl)(methyl)carbamate；3-Boc-amino-3-methylpropanamide；tert-butyl N-(3-amino-3-oxopropyl)-N-methylcarbamate
• CAS: 347190-28-7
• 化学式: C₉H₁₈N₂O₃
• mdl: MFCD24392251
• 分子量: 202.254
• InChiKey: WKXVJYHXBSIZME-UHFFFAOYSA-N

物化性质

• 沸点：
  343.4±21.0 °C(Predicted)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(tert-butoxycarbonyl)-N-methyl-β-alaninamide 在 劳森试剂 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 生成 3-(N-tert-butoxycarbonyl-N-methylamino)propanethioacyl-N-phthalimide
  参考文献：
  名称：

  Synthesis of [18F]-labeled EF3 [2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoropropyl)-acetamide], a marker for PET detection of hypoxia

  摘要：

  [F-18]-2-(2-Nitroimidazol-1-yl)-N-(3,3,3-trifluoropropyl)-acetamide ([F-18]-EF3) has been prepared, in 65% chemical yield and 5% radiochemical yield, by coupling 2,3,5,6-tetrafluorophenyl 2-(2-nitroimidazol-1-yl) acetate 1 with [F-18]-3,3,3-trifluoropropylamine 7. This original radiolabelled key-synthon was obtained in 40% overall chemical yield by oxidative [F-18]-fluorodesulfurization of ethyl N-phthalimido-3-aminopropane dithioate 4, followed by deprotection with hydrazine of the resulting [F-18]-N-phthalimido-3,3,3-trifluoropropylamine 5. All the process was performed within 90 min, from the [F-18]-HF production in the cyclotron to the purification of the final target. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00279-0
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 3-(甲基氨基)丙酰胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.5h， 以88%的产率得到N-(tert-butoxycarbonyl)-N-methyl-β-alaninamide
  参考文献：
  名称：

  氧甾醇结合蛋白抑制哌啶基噻唑类杀菌剂的开环类似物的合成

  摘要：

  新的氨基乙基-、氨基丙基-和氨基丁基-取代的噻唑-4-甲酰胺已被制备，它们是哌啶基-噻唑杀真菌剂的开环类似物。根据链长的不同，必须选择完全不同的合成方法，从与 2-溴噻唑衍生物的 Sonogashira 偶联到不同 β- 和 δ-氨基酸的噻唑环结构不等。

  DOI：

  10.1055/s-0036-1588473

文献信息

• 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US10227299B2

  公开（公告）日：2019-03-12

  Compounds of formula (I) as described herein processes for their production and their use as anti-cancer agents.

  本文所述的式 (I) 化合物的生产工艺及其作为抗癌剂的用途。
• 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20180155285A1

  公开（公告）日：2018-06-07

  Compounds of formula (I) as described hereinprocesses for their production and their use as anti-cancer agents.
• US5861429A
  申请人：——

  公开号：US5861429A

  公开（公告）日：1999-01-19
• Synthesis of [18F]-labeled EF3 [2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoropropyl)-acetamide], a marker for PET detection of hypoxia
  作者：Olivier Josse、Daniel Labar、Benoit Georges、Vincent Grégoire、Jacqueline Marchand-Brynaert

  DOI：10.1016/s0968-0896(00)00279-0

  日期：2001.3

  [F-18]-2-(2-Nitroimidazol-1-yl)-N-(3,3,3-trifluoropropyl)-acetamide ([F-18]-EF3) has been prepared, in 65% chemical yield and 5% radiochemical yield, by coupling 2,3,5,6-tetrafluorophenyl 2-(2-nitroimidazol-1-yl) acetate 1 with [F-18]-3,3,3-trifluoropropylamine 7. This original radiolabelled key-synthon was obtained in 40% overall chemical yield by oxidative [F-18]-fluorodesulfurization of ethyl N-phthalimido-3-aminopropane dithioate 4, followed by deprotection with hydrazine of the resulting [F-18]-N-phthalimido-3,3,3-trifluoropropylamine 5. All the process was performed within 90 min, from the [F-18]-HF production in the cyclotron to the purification of the final target. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Synthesis of Ring-Opened Analogues of Oxysterol-Binding Protein-Inhibiting Piperidinyl-thiazole Fungicides
  作者：Clemens Lamberth、Sarah Sulzer-Mosse、Peter Kubizna

  DOI：10.1055/s-0036-1588473

  日期：2017.10

  Novel aminoethyl-, aminopropyl-, and aminobutyl-substituted thiazole-4-carboxamides have been prepared which are ring-opened analogues of piperidinyl-thiazole fungicides. Depending of the chain length, completely different synthetic approaches had to be chosen which vary from a Sonogashira coupling with a 2-bromothiazole derivative to a thiazole ring construction from different β- and δ-amino acids

  新的氨基乙基-、氨基丙基-和氨基丁基-取代的噻唑-4-甲酰胺已被制备，它们是哌啶基-噻唑杀真菌剂的开环类似物。根据链长的不同，必须选择完全不同的合成方法，从与 2-溴噻唑衍生物的 Sonogashira 偶联到不同 β- 和 δ-氨基酸的噻唑环结构不等。