1-Deutero-2-methyl-naphthalin | 2430-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Deutero-2-methyl-naphthalin
• 英文别名: 1-Deuterio-2-methylnaphthalene
• CAS: 2430-61-7
• 化学式: C₁₁H₁₀
• 分子量: 143.192
• InChiKey: QIMMUPPBPVKWKM-BNEYPBHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1-Deutero-2-methyl-naphthalin 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 生成 2-(bromomethyl)-1-deuterionaphthalene
  参考文献：
  名称：

  Revised13C NMR signal assignments of 2-(bromomethyl) naphthalene

  摘要：

  通过将 2-(溴甲基)萘 (1) 的光谱与 α、α-D2 和 1-D 衍生物的光谱进行比较、确定相对自旋晶格弛豫速率以及检查 13C、1H 自旋耦合模式，得出了其 13C NMR 信号的赋值。对 1 和 2-（溴甲基）-6-甲基萘的文献赋值进行了校正。对获得这些赋值的程序进行了严格的评估。在 2,6- 和 2,7- 双（溴甲基）萘的 13C NMR 光谱中观察到取代基对化学位移的影响具有很好的相加性。

  DOI：

  10.1002/mrc.1260271209
• 作为产物：
  描述：

  1-氨基-2-甲基萘 在 盐酸 、 氘代氯仿 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 24.75h， 生成 1-Deutero-2-methyl-naphthalin
  参考文献：
  名称：

  Photoinduced Catalyst-Free Deuterodefunctionalization of Aryltriazenes with CDCl3

  摘要：

  DOI：

  10.1021/acs.orglett.4c01350

文献信息

• Radical Hydrodehalogenation of Aryl Bromides and Chlorides with Sodium Hydride and 1,4-Dioxane
  作者：Tobias Hokamp、Abhishek Dewanji、Maximilian Lübbesmeyer、Christian Mück-Lichtenfeld、Ernst-Ulrich Würthwein、Armido Studer

  DOI：10.1002/anie.201706534

  日期：2017.10.16

  It is the combo! NaH in combination with 1,4-dioxane serves as the reagent for the radical chain reduction of various aryl halides. Hydrodehalogenation is initiated by 1,10-phenanthroline (phen) at elevated temperature and can be combined with a typical radical cyclization reaction. the reactions proceed via electron catalysis.

  这是组合！NaH与1,4-二恶烷的组合用作各种芳基卤化物自由基链还原的试剂。加氢脱卤化反应是在高温下由1,10-菲咯啉（phen）引发的，可与典型的自由基环化反应结合使用。反应通过电子催化进行。
• Hydrodebromination of allylic and benzylic bromides with water catalyzed by a rhodium porphyrin complex
  作者：Wu Yang、Chen Chen、Kin Shing Chan

  DOI：10.1039/c8dt02168f

  日期：——

  complex catalyst using water as the hydrogen source without a sacrificial reductant. Mechanistic investigations suggest that bromine atom abstraction via a rhodium porphyrin metalloradical operates to give the rhodium porphyrin alkyl species and the subsequent hydrolysis of the rhodium porphyrin alkyl species to a hydrocarbon product is a key step to harness the hydrogen from water.

  通过使用水作为氢源而没有牺牲还原剂的铑卟啉配合物催化剂成功地实现了烯丙基和苄基溴的加氢脱溴。机理研究表明，通过铑卟啉金属骨架提取溴原子可得到铑卟啉烷基物质，随后铑卟啉烷基物质水解为烃产物是从水中利用氢的关键步骤。
• T-Helper Cell-Response to MHC Class II-Binding Peptides of the Renal Cell Carcinoma-Associated Antigen RAGE-1
  作者：Marike J.J.G. Stassar、Laura Raddrizzani、Jürgen Hammer、Margot Zöller

  DOI：10.1016/s0171-2985(01)80003-6

  日期：2001.8

  Recently, epitope prediction software for HLA-DR binding sequences has become available. In view of the importance of T helper (Th) cell activation in immunotherapy of cancer and evidences supporting immunogenicity of renal cell carcinoma (RCC), we have tested 4 peptides of RAGE-1 binding promiscuously to HLA-DR molecules for induction of an immune response.The peptides predicted by the TEPITOPE program using a stringent threshold were derived from the open reading frame 2 and 5 of RAGE-1. Induction of response was evaluated by culturing peripheral blood mononuclear cells (PBMC) in the presence of peptide-loaded dendritic cells (DC) to determine proliferative activity and cytokine expression. Two out of 5 donors did not respond to any of the 4 peptides, 2 donors responded to one peptide and one donor responded to two other peptides. Notably, as revealed by blocking studies and T cell subtype definition, peptides bound to MHC class II molecules and peptide Pulsed DC exclusively activated CD4(+) T cells, which were of the Th1 subtype. With respect to clinical application it is important that (un) responsiveness of individual donors' PBMC was a very consistent feature.Though we have not tested explicitly whether these peptides correspond to naturally processed peptides, the possibility to define those patients whose Th might respond to in silico predicted peptides of RAGE-1, by an in vitro assay, could well be a helpful step towards setting up a RAGE-1 based immunotherapeutic protocol.
• WILCOX C. F. JR.; LAHTI P. M.; ROCCA J. R.; HALPERN M. B.; MEINWALD J., TETRAHEDRON LETT., 1978, NO 22, 1893-1896
  作者：WILCOX C. F. JR.、 LAHTI P. M.、 ROCCA J. R.、 HALPERN M. B.、 MEINWALD J.

  DOI：——

  日期：——