2-Acetylamino-2-(3-fluoro-4-methylbenzyl)malonic acid diethyl ester | 276861-65-5

• 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: 2-Acetylamino-2-(3-fluoro-4-methylbenzyl)malonic acid diethyl ester
• 英文别名: Diethyl 2-acetamido-2-[(3-fluoro-4-methylphenyl)methyl]propanedioate
• CAS: 276861-65-5
• 化学式: C₁₇H₂₂FNO₅
• 分子量: 339.364
• InChiKey: ACWWWVIIAZBDIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Acetylamino-2-(3-fluoro-4-methylbenzyl)malonic acid diethyl ester 在 盐酸 、 水 作用下， 反应 0.17h， 以86%的产率得到3-氟-4-甲基-DL-苯丙氨酸
  参考文献：
  名称：

  Microwave-assisted synthesis of unnatural amino acids

  摘要：

  Microwave irradiation has been proven to be a useful tool in the rapid assembly of racemic unnatural amino acids in only two steps. Additional benefits of this methodology are the commercial availability of the inexpensive starting materials and the high yields and high purities of the final amino acid products. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.025
• 作为产物：
  描述：

  3-氟-4-甲基苄溴 、 乙酰氨基丙二酸二乙酯 在 caesium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以73%的产率得到2-Acetylamino-2-(3-fluoro-4-methylbenzyl)malonic acid diethyl ester
  参考文献：
  名称：

  Microwave-assisted synthesis of unnatural amino acids

  摘要：

  Microwave irradiation has been proven to be a useful tool in the rapid assembly of racemic unnatural amino acids in only two steps. Additional benefits of this methodology are the commercial availability of the inexpensive starting materials and the high yields and high purities of the final amino acid products. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.025

文献信息

• Piperazine derivatives
  申请人：Take Kazuhiko

  公开号：US20060014948A1

  公开（公告）日：2006-01-19

  This invention relates to piperazine derivatives of the formula: wherein each symbol is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human being or animals.

  这项发明涉及以下式的哌嗪衍生物： 其中每个符号如描述中所定义，并且其药用可接受盐，制备方法，包含相同物质的药物组合物，以及用于治疗或预防人类或动物的Tachykinin介导疾病的用途。
• PIPERAZINE DERIVATIVES
  申请人：Take Kazuhiko

  公开号：US20070123532A1

  公开（公告）日：2007-05-31

  This invention relates to piperazine derivatives of the formula: wherein each symbol is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human being or animals.

  本发明涉及以下式的哌嗪衍生物：其中每个符号如描述中所定义，以及其药学上可接受的盐，制备过程，包含它们的制药组合物，以及将其用于治疗或预防人类或动物的缓激肽介导疾病的用途。
• US7166598B2
  申请人：——

  公开号：US7166598B2

  公开（公告）日：2007-01-23
• [EN] PIPERAZINE DERIVATIVES<br/>[FR] DERIVES PIPERAZINES
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2000035915A1

  公开（公告）日：2000-06-22

  This invention relates to piperazine derivatives of formula (I) wherein each symbol is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human being or animals.
• Microwave-assisted synthesis of unnatural amino acids
  作者：Douglas D. Young、Jessica Torres-Kolbus、Alexander Deiters

  DOI：10.1016/j.bmcl.2008.09.025

  日期：2008.10

  Microwave irradiation has been proven to be a useful tool in the rapid assembly of racemic unnatural amino acids in only two steps. Additional benefits of this methodology are the commercial availability of the inexpensive starting materials and the high yields and high purities of the final amino acid products. (c) 2008 Elsevier Ltd. All rights reserved.