1-Amino-6.6-dimethyl-heptan | 91492-49-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-Amino-6.6-dimethyl-heptan
• 英文别名: 6,6-Dimethylheptan-1-amine
• CAS: 91492-49-8
• 化学式: C₉H₂₁N
• 分子量: 143.272
• InChiKey: NNUMRIGSTCXICO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Amino-6.6-dimethyl-heptan 在 4-二甲氨基吡啶 、 双氧水 、 溶剂黄146 、 C₄₆H₄₀F₁₈MnN₆O₆S₂ 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  tert‐Butyl as a Functional Group: Non‐Directed Catalytic Hydroxylation of Sterically Congested Primary C−H Bonds

  摘要：

  The tert‐butyl group is a common aliphatic motif extensively employed to implement steric congestion and conformational rigidity in organic and organometallic molecules. Because of the combination of a high bond dissociation energy (~100 kcal mol−1) and limited accessibility, in the absence of directing groups, neither radical nor organometallic approaches are effective for the chemical modification of tert‐butyl C−H bonds. Herein we overcome these limits by employing a highly electrophilic manganese catalyst, [Mn(CF3bpeb)(OTf)2], that operates in the strong hydrogen bond donor solvent nonafluoro‐tert‐butyl alcohol (NFTBA) and catalytically activates hydrogen peroxide to generate a powerful manganese‐oxo species that effectively oxidizes tert‐butyl C−H bonds. Leveraging on the interplay of steric, electronic, medium and torsional effects, site‐selective and product chemoselective hydroxylation of the tert‐butyl group is accomplished with broad reaction scope, delivering primary alcohols as largely dominant products in preparative yields. Late‐stage hydroxylation at tert‐butyl sites is demonstrated on 6 densely functionalized molecules of pharmaceutical interest. This work uncovers a novel disconnection approach, harnessing tert‐butyl as a potential functional group in strategic synthetic planning for complex molecular architectures.

  DOI：

  10.1002/anie.202402858
• 作为产物：
  描述：

  5-溴戊腈 在 lithium aluminium tetrahydride 、 copper(l) chloride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 生成 1-Amino-6.6-dimethyl-heptan
  参考文献：
  名称：

  tert‐Butyl as a Functional Group: Non‐Directed Catalytic Hydroxylation of Sterically Congested Primary C−H Bonds

  摘要：

  The tert‐butyl group is a common aliphatic motif extensively employed to implement steric congestion and conformational rigidity in organic and organometallic molecules. Because of the combination of a high bond dissociation energy (~100 kcal mol−1) and limited accessibility, in the absence of directing groups, neither radical nor organometallic approaches are effective for the chemical modification of tert‐butyl C−H bonds. Herein we overcome these limits by employing a highly electrophilic manganese catalyst, [Mn(CF3bpeb)(OTf)2], that operates in the strong hydrogen bond donor solvent nonafluoro‐tert‐butyl alcohol (NFTBA) and catalytically activates hydrogen peroxide to generate a powerful manganese‐oxo species that effectively oxidizes tert‐butyl C−H bonds. Leveraging on the interplay of steric, electronic, medium and torsional effects, site‐selective and product chemoselective hydroxylation of the tert‐butyl group is accomplished with broad reaction scope, delivering primary alcohols as largely dominant products in preparative yields. Late‐stage hydroxylation at tert‐butyl sites is demonstrated on 6 densely functionalized molecules of pharmaceutical interest. This work uncovers a novel disconnection approach, harnessing tert‐butyl as a potential functional group in strategic synthetic planning for complex molecular architectures.

  DOI：

  10.1002/anie.202402858

文献信息

• [EN] HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS<br/>[FR] HYDANTOÏNE CONTENANT DES INHIBITEURS DE LA DÉSOXYURIDINE TRIPHOSPHATASE
  申请人：CV6 THERAPEUTICS NI LTD

  公开号：WO2018098206A1

  公开（公告）日：2018-05-31

  Provided herein are dUTPase inhibitors, compositions comprising such compounds and methods of using such compounds and compositions.

  提供的是dUTPase抑制剂，包含此类化合物的组合物以及使用此类化合物和组合物的方法。
• Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof
  申请人：Burgess Kevin

  公开号：US20120232268A1

  公开（公告）日：2012-09-13

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。
• PROTEIN-POLYMER-DRUG CONJUGATES
  申请人：MERSANA THERAPEUTICS, INC.

  公开号：US20150104407A1

  公开（公告）日：2015-04-16

  A polymeric scaffold useful for conjugating with a protein based recognition-molecule (PBRM) to form a PBRM-polymer-drug conjugate is described herein. The scaffold includes one or more terminal maleimido groups. Also disclosed is a PBRM-polymer-drug conjugate prepared from the scaffold. Compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions are also described.

  本文描述了一种用于与基于蛋白质的识别分子（PBRM）共轭的聚合支架，形成PBRM-聚合物-药物共轭物的聚合支架。该支架包括一个或多个末端马来酰亚胺基团。还披露了从该支架制备的PBRM-聚合物-药物共轭物。还描述了包含这些共轭物的组合物、它们的制备方法以及使用这些共轭物或它们的组合物治疗各种疾病的方法。
• [EN] PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA<br/>[FR] COMPOSES DE PYRAZOLOPYRIDINE DESTINES AU TRAITEMENT DE L'ANEMIE
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：WO1993025205A1

  公开（公告）日：1993-12-23

  (EN) The present invention relates to a pharmaceutical composition for the prevention and/or the treatment of anemia in a human being or an animal which comprises, as an active ingredient, a pyrazolopyridine compound of formula (I) wherein R1 is lower alkyl, etc, R2 is a group of formula (II) (wherein R4 is protected amino, etc, and R5 is hydrogen, etc); etc, and R3 is hydrogen, etc, or a pharmaceutically acceptable salt thereof in admixture with a pharmaceutically acceptable carrier or excipient, etc.(FR) Composition pharmaceutique destinée à la prévention et/ou au traitement de l'anémie chez l'être humain ou chez l'animal. Cette composition comprend comme ingrédient actif un composé de pyrazolopyridine de la formule (I), dans laquelle R1 est un alkyle inférieur, etc.; R2 est un groupe de la formule (II), dans laquelle R4 est un amino protégé, etc. et R5 est l'hydrogène, etc.; etc. et R3 est l'hydrogène, etc.; ou un sel pharmaceutiquement acceptable de ce composé, mélangé à un excipient pharmaceutiquement acceptable, etc.

  本发明涉及一种药物组合物，用于预防和/或治疗人类或动物的贫血，其作为活性成分包含式（I）的吡唑啉并吡啶化合物，其中R1是低碳基等，R2是式（II）的基团（其中R4是保护氨基等，R5是氢等）等，R3是氢等，或其药学上可接受的盐与药学上可接受的载体或赋形剂等混合物。
• Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor
  申请人：Frydman Benjamin

  公开号：US20070287754A1

  公开（公告）日：2007-12-13

  Conformationally restricted polyamine compounds useful in treatment of cancer and other diseases marked by abnormal cell proliferation are disclosed. Improved methods of synthesizing such compounds are also disclosed. In one method of the invention, a carbene-bearing or carbene equivalent-bearing compound is reacted with the double bond of an alkene compound to form a cyclopropyl ring as the first step in the synthesis.

  本发明揭示了在治疗癌症和其他由异常细胞增殖引起的疾病中有用的构象限制的多胺化合物。本发明还揭示了改进的合成这种化合物的方法。在本发明的一种方法中，通过使含有卡宾或卡宾等效物的化合物与烯烃化合物的双键反应，形成环丙基环作为合成的第一步。