N'-(4-Trifluoromethyl-benzyl)-hydrazinecarboxylic acid tert-butyl ester | 180462-82-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-(4-Trifluoromethyl-benzyl)-hydrazinecarboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 2-[4-(trifluoromethyl)benzyl]hydrazinecarboxylate；tert-butyl N-[[4-(trifluoromethyl)phenyl]methylamino]carbamate
• CAS: 180462-82-2
• 化学式: C₁₃H₁₇F₃N₂O₂
• mdl: MFCD24466774
• 分子量: 290.285
• InChiKey: YFDVSGHXEUIXLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N'-(4-Trifluoromethyl-benzyl)-hydrazinecarboxylic acid tert-butyl ester 在 sodium tetrahydroborate 、 potassium carbonate 、 lithium chloride 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 72.0h， 生成 N'-(2-Hydroxy-ethyl)-N'-(4-trifluoromethyl-benzyl)-hydrazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  Cheguillaume, Arnaud; Doubli-Bounoua, Ismahel; Baudy-Floc'h, Michèle, Synlett, 2000, # 3, p. 331 - 334

  摘要：

  DOI：
• 作为产物：
  描述：

  肼基甲酸叔丁酯 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 3.5h， 生成 N'-(4-Trifluoromethyl-benzyl)-hydrazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  Aza-Peptide Analogs as Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors with Oral Bioavailability

  摘要：

  A series of aza-peptide analogs with a (hydroxyethyl)hydrazine isostere has been synthesized as HIV-1 protease inhibitors using a simple synthetic scheme. Structure-activity studies based on the X-ray of a previously described inhibitor-enzyme complex led to potent inhibitors with antiviral activity in the low-nanomolar range. The S-configuration of the transition-state hydroxyl group was preferred in this series. Small modifications of the P2P3 and P-2'P-3' substituents had little effect on enzyme inhibition but greatly influenced the pharmacokinetic profile. As a result of these studies, the symmetrically acylated compound 8a and its close analog 24a bearing a methyl carbamate in P-3 and an ethyl carbamate in P-3' position were identified as potent inhibitors with plasma concentrations exceeding antiviral ED(50) values 150-fold following oral application in mice.

  DOI：

  10.1021/jm960022p

文献信息

• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCÉDÉS QUI LEUR SONT ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2013106254A1

  公开（公告）日：2013-07-18

  This document discloses pesticidal compositions comprising molecules having the following formula ("Formula One"): and processes related thereto.

  该文件披露了包含具有以下分子式（“公式一”）的杀虫剂组合物，以及相关的工艺。
• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCESSUS ASSOCIÉS À CELLES-CI
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014126580A1

  公开（公告）日：2014-08-21

  This document discloses pesticidal compositions comprising molecules having the following formula ("Formula One"), - Structure- wherein the compositions further comprise one or more of additional pesticidally active components. Also disclosed are processes for applying the pesticidal composition to plants, seeds and to soil where the plants are going to be planted. The inventive pesticidal compositions are effective toward eradicating pests such as BAW, CEW and GPA.

  本文件披露了包含具有以下公式（"公式一"）的分子的杀虫组合物，其中这些组合物进一步包括一种或多种额外的杀虫活性成分。还披露了将杀虫组合物应用于植物、种子和即将种植的土壤的过程。这种创新的杀虫组合物对于根除诸如BAW、CEW和GPA等害虫是有效的。
• POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：Glinka Tomasz

  公开号：US20100152098A1

  公开（公告）日：2010-06-17

  Disclosed are compounds having polybasic functionalities. The compounds inhibit bacterial efflux pump inhibitors and are used in combination with an anti-bacterial agent to treat or prevent bacterial infections. These combinations can be effective against bacterial infections that have developed resistance to anti-bacterial agents through an efflux pump mechanism.

  本发明涉及具有多元功能的化合物。这些化合物可以抑制细菌外排泵抑制剂，并与抗菌剂结合使用，以治疗或预防细菌感染。这些组合物可以有效地对抗通过外排泵机制对抗菌剂产生抗性的细菌感染。
• Submonomer Solution Synthesis of Hydrazinoazapeptoids, a New Class of Pseudopeptides
  作者：Arnaud Cheguillaume、Françoise Lehardy、Karine Bouget、Michèle Baudy-Floc'h、Philippe Le Grel

  DOI：10.1021/jo981487l

  日期：1999.4.1
• US6214826B1
  申请人：——

  公开号：US6214826B1

  公开（公告）日：2001-04-10