2-甲基-2-丙基[2-(二甲基氨基)-2-氧代乙基]甲基氨基甲酸酯 | 65918-90-3

• 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: 2-甲基-2-丙基[2-(二甲基氨基)-2-氧代乙基]甲基氨基甲酸酯
• 英文名称: N-tertiobutoxycarbonylsarcosine N',N'-dimethylacetamide
• 英文别名: tert-butyl (2-(dimethylamino)-2-oxoethyl)(methyl)carbamate；Boc-Sar-N(CH3)2；Dimethylcarbamoylmethyl-methyl-carbamic acid tert-butyl ester；tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate
• CAS: 65918-90-3
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: WBIMHZXMIQBVGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基[2-(二甲基氨基)-2-氧代乙基]甲基氨基甲酸酯 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 2-氨基-N,N-二甲基乙酰胺
  参考文献：
  名称：

  Bonora,G.M.; Toniolo,C., Gazzetta Chimica Italiana, 1977, vol. 107, p. 381 - 385

  摘要：

  DOI：
• 作为产物：
  描述：

  N-重氮基氨基甲酸叔-丁基酯 生成 2-甲基-2-丙基[2-(二甲基氨基)-2-氧代乙基]甲基氨基甲酸酯
  参考文献：
  名称：

  Bonora,G.M.; Toniolo,C., Gazzetta Chimica Italiana, 1977, vol. 107, p. 381 - 385

  摘要：

  DOI：

文献信息

• A General Strategy to Enhance Donor‐Acceptor Molecules Using Solvent‐Excluding Substituents
  作者：Conner A. Hoelzel、Hang Hu、Charles H. Wolstenholme、Basel A. Karim、Kyle T. Munson、Kwan Ho Jung、Han Zhang、Yu Liu、Hemant P. Yennawar、John B. Asbury、Xiaosong Li、Xin Zhang

  DOI：10.1002/anie.201915744

  日期：2020.3.16

  β-carbonyl substituent creates a structural buffer between the donor and the surrounding solvent. Through computational and experimental analyses, it is demonstrated that the β-carbonyl simultaneously attenuates two distinct solvent-dependent quenching mechanisms. Using the β-carbonyl substituent, improvements in the photophysical properties of commonly used D-A fluorophores and their enhanced performance

  尽管有机供体-受体（DA）分子广泛应用于多个领域，但由于固有的极性敏感性会抑制光化学过程，因此可能会限制更多DA分子的应用。本文介绍了一种简便的化学修饰方法，可通过添加基于β-羰基的极性取代基来减弱溶剂依赖的激发态猝灭机理。结果揭示了一种机制，其中β-羰基取代基在供体和周围溶剂之间产生结构缓冲。通过计算和实验分析，证明了β-羰基同时减弱了两种不同的溶剂依赖性猝灭机理。使用β-羰基取代基
• Modified Creatine Compounds
  申请人：Gencia Corporation

  公开号：US20150005258A1

  公开（公告）日：2015-01-01

  The invention discloses creatine derivatives that are represented by Formula (I), Formula (II), and Formula (III); wherein Z is a functional group; Y is a mitochondrial targeting agent, a cationic ammonium group, or a polypeptide containing at least one positively charged amino acid residue; each R 1 is independently hydrogen, alkyl, or a phosphate group; R 2 a linker; R 3 is a spacer group; R 4 is hydrogen, alkyl, aryl, or heterocyclic; or R 4 and R 1 , or R 4 and R 3 , together with the nitrogen atoms to which they are attached form a heterocyclic ring, and W is hydrogen or alkyl.

  本发明公开了由式(I)、式(II)和式(III)表示的肌酸衍生物；其中Z是功能基团；Y是线粒体定位剂、阳离子铵基团或至少含有一个带正电氨基酸残基的多肽；每个R1独立地是氢、烷基或磷酸基团；R2是连接基；R3是间隔基团；R4是氢、烷基、芳基或杂环基；或者R4和R1，或者R4和R3，与它们连接的氮原子共同形成杂环环，W是氢或烷基。
• FT-IR study of the conformation and proton acceptor ability of N-tertiobutoxycarbonylsarcosine N′-methylamide and N-tertiobutoxycarbonylsarcosine N′,N′-dimethylacetamide
  作者：J. Parmentier、C. Samyn、Th. Zeegers-Huyskens

  DOI：10.1016/0584-8539(92)80118-g

  日期：1992.8

  Two model dipeptides, N-tertiobutoxycarbonylsarcosine N'-methylamide (BSMA) and N-tertiobutoxycarbonylsarcosine N',N'-dimethylamide (BSDA) are investigated by FT-IR spectrometry. The conformation of BSMA is very sensitive to the environment. In solvents of weak polarity (carbon tetrachloride, cyclohexane), BSMA accommodates the extended and seven-membered ring conformation, but in 1,2-dichloroethane, the C-7 conformers are greatly destabilized. Hydrogen bonding between BSMA or BSDA and phenols is studied in carbon tetrachloride. The thermodynamic data (equilibrium constants and enthalpies of complex formation) show that the BSMA complexes are stronger than the BSDA complexes. The spectroscopic data suggest that for BSMA, complex formation occurs at the O atom of the amide function while for BSDA about 50% of the complexes are formed on the O atom of the urethane group. The differences between the two sarcosine dipeptides are discussed in terms of cooperative and steric effects. It can be concluded that the global polarity of the medium exerts a greater influence on the conformation of the C-7 dipeptides than the specific interactions taking place on a given site of the molecule.
• NOVEL PIPERIDINE COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1513814B1

  公开（公告）日：2010-03-17
• US7619092B2
  申请人：——

  公开号：US7619092B2

  公开（公告）日：2009-11-17