1-(苄基氨基)-2-甲基丙-2-醇 | 80466-51-9

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 环醇
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(苄基氨基)-2-甲基丙-2-醇
• 英文名称: 1-(benzylamino)-2-methylpropan-2-ol
• CAS: 80466-51-9
• 化学式: C₁₁H₁₇NO
• mdl: MFCD09608008
• 分子量: 179.262
• InChiKey: HTYYZKBJEIKWKW-UHFFFAOYSA-N

物化性质

• 熔点：
  48.5-49.5 °C
• 沸点：
  113-117 °C(Press: 3 Torr)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  32.26
• 氢给体数：
  2.0
• 氢受体数：
  2.0

安全信息

• 海关编码：
  2922199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(苄基氨基)-2-甲基丙-2-醇 在 对甲苯磺酸 、 N,N-二异丙基乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙基苯 、 甲苯 、 乙腈 为溶剂， 反应 8.5h， 生成 tert-butyl 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetate
  参考文献：
  名称：

  2-(2-Oxo-morpholin-3-yl)-acetamide Derivatives as Broad-Spectrum Antifungal Agents

  摘要：

  From a fungicidal screen, we identified 2-(2-oxo-morpholin-3-yl)-acetamide derivatives as fungicidal agents against Candida species, additionally characterized by antifungal activity against Aspergillus species. However, development of this series was hampered by low plasmatic stability. Introduction of a gem-dimethyl on the 6-position of the morpholin-2-one core led to considerable improvement in plasmatic stability while maintaining in vitro antifungal activity. Further optimization of the series resulted in the discovery of N-(biphenyl-3-ylmethyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (87), which, in addition to fungicidal activity against Candida species, shows promising and broad antifungal in vitro activity against various fungi species, such as molds and dermatophytes. In vivo efficacy was also demonstrated in a murine model of systemic Candida albicans infection with a significant fungal load reduction in kidneys.

  DOI：

  10.1021/jm501814x
• 作为产物：
  描述：

  在 溶剂黄146 、 苯硫酚 作用下， 以 甲醇 为溶剂， 反应 4.5h， 以94%的产率得到1-(苄基氨基)-2-甲基丙-2-醇
  参考文献：
  名称：

  环状亚磺酰胺作为氨基醇的同时保护基：使用硫酚的轻度脱保护协议的发展。

  摘要：

  这项研究描述了环状亚磺酰胺作为1,2-或1,3-氨基醇的同时保护基的新用途。开发了用于除去环状亚磺酰胺的异常温和的中性条件。脱保护条件显示出广泛的官能团相容性，包括具有Z-烯炔结构的底物，而没有双键立体化学的任何损失。 图形抽象全尺寸图像

  DOI：

  10.1248/cpb.c20-00531

文献信息

• [EN] ANTIFUNGAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIFONGIQUES
  申请人：UNIV LEUVEN KATH

  公开号：WO2011072345A1

  公开（公告）日：2011-06-23

  The present invention relates to a series of novel compounds which have been shown to possess antifungal activity. The invention therefore relates to the new compounds, methods for their preparation, pharmaceutical compositions comprising them and to the compounds for use as a medicament, more in particular antifungal medicament.

  本发明涉及一系列已被证明具有抗真菌活性的新化合物。因此，该发明涉及新化合物、其制备方法、包含它们的药物组合物以及用作药物，尤其是抗真菌药物的化合物。
• ANTIFUNGAL COMPOUNDS
  申请人：Bardiot Dorothée

  公开号：US20120252801A1

  公开（公告）日：2012-10-04

  The present invention relates to a series of novel compounds which have been shown to possess antifungal activity. The invention therefore relates to the new compounds, methods for their preparation, pharmaceutical compositions comprising them and to the compounds for use as a medicament, more in particular antifungal medicament.

  本发明涉及一系列已被证明具有抗真菌活性的新化合物。因此，该发明涉及新化合物、其制备方法、包含它们的药物组合物以及用作药物，尤其是抗真菌药物的化合物。
• Zinc-Catalyzed Esterification of <i>N</i> -β-Hydroxyethylamides: Removal of Directing Groups under Mild Conditions
  作者：Yuji Nishii、Takahiro Hirai、Sarah Fernandez、Paul Knochel、Kazushi Mashima

  DOI：10.1002/ejoc.201700748

  日期：2017.9.15

  Amide transformations involving C-N bond cleavage are recognized as difficult reactions owing to the inert nature of amides resulting from resonance. Accordingly, a strong inductive effect and geometrical distortion reasonably decrease the resonance stabilization to attenuate the C-N linkage. Although the conversion of such activated amides has been studied intensively, reaction systems for unactivated

  由于由共振引起的酰胺的惰性性质，涉及 CN 键断裂的酰胺转化被认为是困难的反应。因此，强感应效应和几何失真合理地降低了共振稳定性以衰减 CN 链接。尽管已经对此类活化酰胺的转化进行了深入研究，但未活化酰胺的反应体系尚未开发。我们在此报告了三氟甲磺酸锌 (II) [Zn(OTf)(2)] 催化剂在分子内酰基重排的帮助下实现了多种未活化的叔酰胺的酯化。该反应用于在温和的反应条件下一锅脱除各种酰胺基导向基团，以高产率得到相应的酯。
• PYRIDO[3,4-B]PYRAZINE DERIVATIVES AS SYK INHIBITORS
  申请人：Atkinson Francis Louis

  公开号：US20140005188A1

  公开（公告）日：2014-01-02

  A compound of formula (I): or a salt thereof; which is an inhibitor of spleen tyrosine kinase (Syk) and therefore potentially of use in treating diseases resulting from inappropriate activation of mast cells, macrophages, and B-cells and related inflammatory responses and tissue damage, for instance inflammatory disease and/or allergic disorders, and in cancer therapy, specifically heme malignancies, and autoimmune conditions.

  化合物的化学式（I）：或其盐；它是脾酪氨酸激酶（Syk）的抑制剂，因此可能用于治疗由于肥大细胞、巨噬细胞和B细胞不适当活化引起的疾病，例如炎症性疾病和/或过敏性疾病，以及癌症治疗，特别是血液恶性肿瘤和自身免疫症状。
• [EN] SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION<br/>[FR] DÉGRONIMÈRES SPIROCYCLIQUES POUR LA DÉGRADATION DE PROTÉINES CIBLES
  申请人：C4 THERAPEUTICS INC

  公开号：WO2017197036A1

  公开（公告）日：2017-11-16

  This invention provides compounds that have spirocyclic E3 Ubiquitin Ligase targeting moieties (Degrons), which can be used as is or linked to a targeting ligand for a protein that has been selected for in vivo degradation, and methods of use and compositions thereof as well as methods for their preparation.

  这项发明提供了具有螺环式E3泛素连接酶靶向基团（Degrons）的化合物，这些化合物可以直接使用，也可以与靶向配体连接，用于选定用于体内降解的蛋白质，并提供了使用方法、组合物以及其制备方法。