methyl 3-amino-4-methylpentanoate hydrochloride | 1219839-34-5

• 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: methyl 3-amino-4-methylpentanoate hydrochloride
• 英文别名: Methyl 3-amino-4-methylpentanoate hydrochloride；methyl 3-amino-4-methylpentanoate;hydrochloride
• CAS: 1219839-34-5
• 化学式: C₇H₁₅NO₂*ClH
• 分子量: 181.663
• InChiKey: PPXNDBYZDBBPCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-amino-4-methylpentanoate hydrochloride 在 sodium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 水 、 叔丁醇 为溶剂， 反应 3.0h， 生成 1-O-tert-butyl 2-O-methyl (2S,3S)-3-propan-2-ylaziridine-1,2-dicarboxylate
  参考文献：
  名称：

  Novel Synthesis of 4-Carboxymethyl 5-Alkyl/Aryl Oxazolidin-2-ones by Rearrangement of 2-Carboxymethyl 3-Alkyl/Aryl N-tert-Butoxycarbonyl Aziridines

  摘要：

  A two-step approach for the diastereoselective synthesis of 4-carboxymethyl 5-alkyl/aryl oxazolidin-2-ones is described, which proceeds via the intermediate formation of a carboxymethyl 3-alkyl/aryl N-tert-butoxycarbonyl (N-Boc) aziridines. By reaction of N-Boc p-amino methyl esters with LiHMDS and iodine, trans 2,3-disubstituted N-Boc aziridines are obtained with high stereoselectivities and yields. The final rearrangement to oxazolidin-2-ones is achieved by treatment with a catalytic amount of a Lewis acid and proceeds with high yield and complete regio and stereoselectivity.

  DOI：

  10.1021/ol991225l
• 作为产物：
  描述：

  甲醇 、 3-氨基-4-甲基戊酸 在 氯化亚砜 作用下， 以100%的产率得到methyl 3-amino-4-methylpentanoate hydrochloride
  参考文献：
  名称：

  Synthesis of chiral non-racemic intermediates and Arg-Gly-Asp mimetics by CaLB-catalyzed resolution

  摘要：

  The reactivity of both the ester and amine functions present in beta-amino esters was tested in order to obtain the synthesis of enantiopure alpha v beta 3 and alpha 5 beta 1 integrin ligands CaLB successfully catalyzed both the enantioselective transesterification and the N-acylation of racemic beta-amino esters, allowing the isolation of intermediates for the preparation of Arg-Gly-Asp (RGD) mimetic Compounds. In particular, a CaLB-catalyzed amidation reaction with unprotected beta-aminobenzylamine reduced the number of synthetic steps, thus avoiding protection and deprotection of the intermediate compounds Following this procedure, RGD mimetics were isolated with high yields and enantiomeric purities (c) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tetasy.2009.12.021

文献信息

• Sustainable, three-component, one-pot procedure to obtain active anti-flavivirus agents
  作者：Tommaso Felicetti、Maria Sole Burali、Chin Piaw Gwee、Kitti Wing Ki Chan、Sylvie Alonso、Serena Massari、Stefano Sabatini、Oriana Tabarrini、Maria Letizia Barreca、Violetta Cecchetti、Subhash G. Vasudevan、Giuseppe Manfroni

  DOI：10.1016/j.ejmech.2020.112992

  日期：2021.1

  number of purification steps, the use of hazardous reagents and environmentally unsustainable generation of waste. Considering the promising antiviral activity of PBTZ analogues which require further exploration, in this work, we report the development of a new and sustainable three-component reaction (3CR) that can be combined with a basic hydrolysis in a one-pot procedure to obtain the PBTZ scaffold

  属于黄病毒属的蚊媒病毒，例如登革热病毒（DENV）和寨卡病毒（ZIKV），会引起人类感染，从轻度的流感样症状到出血热，肝炎和神经病。迄今为止，只有少数黄病毒的疫苗，而没有有效的治疗方法。 吡啶并苯并噻唑（PBTZ）衍生物是一类具有广阔前景的广谱抗黄病毒活性的化合物，据报道，其中大多数是黄病毒NS5聚合酶的有效抑制剂。然而，PBTZ类似物的合成需要大量的纯化步骤，危险试剂的使用以及对环境不可持续的废物的产生。 考虑到PBTZ类似物的有希望的抗病毒活性需要进一步探索，在这项工作中，我们报告了一种新的可持续的三组分反应（3CR）的开发，该反应可以与一锅法中的碱性水解反应结合使用PBTZ支架，从而减少了合成步骤，提高了产量并节省了时间。为了通过使用不同的起始材料来证明其广泛的应用范围，对3CR进行了广泛的研究。此外，利用这些程序，我们接下来设计和合成了一组新的PBTZ类似物，这些类似物已作为抗DE
• USE OF OPEN-CHAIN CARBOXYLIC ACIDS, CARBONIC ESTERS, CARBOXAMIDES AND CARBONITRILES OF ARYL, HETEROARYL AND BENZYLSULFONAMIDE OR THE SALTS THEREOF FOR IMPROVING THE STRESS TOLERANCE IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140011682A1

  公开（公告）日：2014-01-09

  The invention relates to the use of open-chain aryl-, heteroaryl- and benzylsulfonamidocarboxylic acids, -carboxylic esters, -carboxamides and -carbonitriles or salts thereof of the formula (I) in which the respective substituents have the meanings given in the description, for increasing stress tolerance in plants with respect to abiotic stress, and also for increasing plant growth and/or for increasing plant yield.

  该发明涉及使用开链芳基、杂芳基和苄磺胺基羧酸、羧酸酯、羧酰胺和羧基腈或其盐的化合物，化学式为(I)，其中各自的取代基具有描述中给出的含义，用于提高植物对非生物胁迫的应激耐受性，以及促进植物生长和/或提高植物产量。
• Modulators of Histone Methyltransferase, and Methods of Use Thereof
  申请人：Epizyme, Inc.

  公开号：US20160068559A1

  公开（公告）日：2016-03-10

  Disclosed are compounds, pharmaceutical compositions containing the compounds, and the uses of the compounds and compositions as modulators of histone methyltransferases, and for treating diseases influenced by modulation of histone methyltransferase activity.

  本发明涉及一种化合物、含有该化合物的药物组合物，以及将该化合物和组合物用作组蛋白甲基转移酶调节剂，以及治疗受组蛋白甲基转移酶活性调节影响的疾病的用途。
• MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF
  申请人：Epizyme, Inc.

  公开号：EP2646455A2

  公开（公告）日：2013-10-09
• US9029343B2
  申请人：——

  公开号：US9029343B2

  公开（公告）日：2015-05-12