N-叔丁氧羰基-D-4-氯苯丙氨酸 | 57292-44-1

• 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
• 中文名称: N-叔丁氧羰基-D-4-氯苯丙氨酸
• 中文别名: BOC-D-4-氯苯丙氨酸；Boc-4-氯-D-苯丙氨酸；(R)-1-Boc-4-氯苯丙氨酸；N-(叔丁氧羰基)-4-氯-D-苯丙氨酸；N-Boc-4-氯-D-苯基丙氨酸；Boc-D-Phe(4-Cl)-OH
• 英文名称: N-Boc-D-(4-Cl)Phe-OH
• 英文别名: (R)-2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid；Boc-4-chloro-D-phenylalanine；(2R)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• CAS: 57292-44-1
• 化学式: C₁₄H₁₈ClNO₄
• 分子量: 299.754
• InChiKey: BETBOAZCLSJOBQ-LLVKDONJSA-N

物化性质

• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 储存条件：
  保持贮藏器密封，并将其存放在阴凉、干燥处。确保工作间有良好的通风或排气装置。

制备方法与用途

Boc-D-Phe(4-Cl)-OH是一种苯丙氨酸衍生物。

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-D-4-氯苯丙氨酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  The discovery of novel 8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl) propanamides as vasopressin V1A receptor antagonists

  摘要：

  The discovery of a novel series of 8-azabicyclo[3.2.1] octan-3-yl)-3-(4-chlorophenyl) propanamide antagonists of the vasopressin V-1A receptor is disclosed. Compounds 47 and 48 were found to be high affinity, selective vasopressin V-1A antagonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.096
• 作为产物：
  描述：

  3-(4-氯苯基)丙酸 在 palladium on activated charcoal lithium hydroxide 、 正丁基锂 、 2,4,6-三异丙基苯磺酰叠氮化物 、 氢气 、 双氧水 、 双(三甲基硅烷基)氨基钾 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， -78.0~25.0 ℃ 、101.33 kPa 条件下， 反应 3.2h， 生成 N-叔丁氧羰基-D-4-氯苯丙氨酸
  参考文献：
  名称：

  Model studies on the synthesis of carboxylate-binding pocket analogs of vancomycin using arene-ruthenium chemistry

  摘要：

  Preparation of several protected (D)-chlorophenylalanine derivatives in high optical purity and their complex formation with the [RuCp]+ moiety are described. The complexation reaction, as well as subsequent photochemical decomplexations, proceeds with retention of optical purity. Reactions of these chloroarene complexes with 3-hydroxyphenylglycine derivatives proceed under mild conditions to give aryl ether-ruthenium complexes, which can be converted to diaryl ethers in which both aromatic rings have protected amino acid or peptide side chains. Efforts to effect cycloamidation to give vancomycin carboxylate-binding pocket analogues, using a number of known coupling reagents, were unsuccessful.

  DOI：

  10.1021/jo00032a028
• 作为试剂：
  描述：

  、 N-叔丁氧羰基-D-4-氯苯丙氨酸 在 N-叔丁氧羰基-D-4-氯苯丙氨酸 作用下， 生成
  参考文献：
  名称：

  Drug. Future 1999, 24, 393-403

  摘要：

  DOI：

文献信息

• New reagent for the introduction of Boc protecting group to amines: Boc-OASUD
  作者：B. Leela Maheswara Rao、Shaik Nowshuddin、Anjali Jha、Murali K. Divi、M. N. A. Rao

  DOI：10.1080/00397911.2017.1366525

  日期：2017.11.17

  ABSTRACT A new reagent, tert-butyl (2,4-dioxo-3-azaspiro [5,5] undecan-3-yl) carbonate (Boc-OASUD) for the preparation of N-Boc-amino acids is described. The Boc-OASUD reacts with amino acids and their esters at room temperature in the presence of a base and gives N-Boc-amino acids and their esters in good yields and purity. Introduction of the Boc group takes place without racemization. The Boc-OASUD

  摘要描述了一种用于制备 N-Boc-氨基酸的新试剂叔丁基 (2,4-dioxo-3-azaspiro [5,5] undecan-3-yl) 碳酸酯 (Boc-OASUD)。Boc-OASUD 在室温下在碱存在下与氨基酸及其酯反应，并以良好的产率和纯度得到 N-Boc-氨基酸及其酯。Boc 基团的引入无需外消旋化。Boc-OASUD 是一种固体且更稳定，是二碳酸二叔丁酯的更好替代品，二碳酸二叔丁酯熔点低，由于稳定​​性差，必须在塑料容器中分配，而不是玻璃。图形概要
• Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith
  申请人：D'Sidocky Neil R.

  公开号：US20080242694A1

  公开（公告）日：2008-10-02

  Provided herein are Heterocyclic Compounds having the following structure: wherein R 1 , R 2 , X, Y and Z are as defined herein, compositions comprising an effective amount of a Heterocyclic Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, metabolic conditions and conditions treatable or preventable by inhibition of a kinase pathway comprising administering an effective amount of a Heterocyclic Compound to a patient in need thereof.

  本文提供具有以下结构的杂环化合物： 其中R1、R2、X、Y和Z如本文所定义，包含有效量杂环化合物的组合物，以及治疗或预防癌症、炎症性疾病、免疫疾病、代谢性疾病以及通过给予患者需要的有效量杂环化合物来抑制激酶途径治疗或预防的疾病的方法。
• SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS
  申请人：——

  公开号：US20030236262A1

  公开（公告）日：2003-12-25

  Certain novel 4-substituted piperidine compounds are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

  某些新型的4-取代哌啶化合物是人类黑色素皮质素受体的激动剂，特别是人类黑色素皮质素-4受体（MC-4R）的选择性激动剂。因此，它们对于治疗、控制或预防对MC-4R激活敏感的疾病和疾病具有用处，如肥胖症、糖尿病、性功能障碍，包括勃起功能障碍和女性性功能障碍。
• [EN] NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PHTALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE
  申请人：NYCOMED GMBH

  公开号：WO2012171900A1

  公开（公告）日：2012-12-20

  The compounds of formula (1), in which R1, R7, R8, R9, R10, R17, R18, R19, R20 and m have the meanings as given in the description, are novel effective inhibitors of type 4 and 5 phosphodiesterase.

  式（1）中的化合物，其中R1、R7、R8、R9、R10、R17、R18、R19、R20和m的含义如描述中所述，是新颖的有效的4型和5型磷酸二酯酶抑制剂。
• Small molecule compositions for sexual dysfunction
  申请人：Palatin Technologies, Inc.

  公开号：US07550602B1

  公开（公告）日：2009-06-23

  Compounds of the general formula: or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, and X are as defined. Further provided are methods for treatment of sexual dysfunction, including erectile dysfunction and female sexual dysfunction, and combination drugs and method of use thereof, including a compound of the invention and one or more second sexual dysfunction pharmaceutical agents.

  通用公式的化合物： 或其药用可接受的盐，其中R1、R2、R3和X如定义。还提供了治疗性功能障碍的方法，包括勃起功能障碍和女性性功能障碍，以及联合药物和使用方法，包括本发明的化合物和一个或多个第二性功能障碍药物。