10-dodecyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione | 178061-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 10-dodecyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
• 英文别名: 10-Dodecyl-7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione；10-dodecyl-7,8-dimethylbenzo[g]pteridine-2,4-dione
• CAS: 178061-59-1
• 化学式: C₂₄H₃₄N₄O₂
• 分子量: 410.56
• InChiKey: KDFCJZSEYXHKPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 10-dodecyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以99%的产率得到1-N-methyl-10-dodecyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
  参考文献：
  名称：

  Supramolecular Chemistry-Based One-Pot High-Efficiency Separation of Solubilizer-Free Pure Semiconducting Single-Walled Carbon Nanotubes: Molecular Strategy and Mechanism

  摘要：

  Single-walled carbon nanotubes (SWCNTs) have the potential to revolutionize nanoscale electronics and power sources; however, their low purity and high separation cost limit their use in practical applications. Here we present a supramolecular chemistry-based one-pot, less expensive, scalable, and highly efficient separation of a solubilizer/adsorbent-free pure semiconducting SWCNT (sc-SWCNT) using flavin/isoalloxazine analogues with different substituents. On the basis of both experimental and computational simulations (DFT study), we have revealed the molecular requirements of the solubilizers as well as provided a possible mechanism for such a highly efficient selective sc-SWCNT separation. The present sorting method is very simple (one-pot) and gives a promising sc-SWCNT separation methodology. Thus, the study provides insight for the molecular design of an sc-SWCNT solubilizer with a high (n,m)-chiral selectivity, which benefits many areas including semiconducting nanoelectronics, thermoelectric, bio and energy materials, and devices using solubilizer-free very pure sc-SWCNTs.

  DOI：

  10.1021/jacs.0c03994
• 作为产物：
  描述：

  1-氯十二烷 在 boron trioxide 、 溶剂黄146 、 三乙胺 、 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 10-dodecyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
  参考文献：
  名称：

  Supramolecular Chemistry-Based One-Pot High-Efficiency Separation of Solubilizer-Free Pure Semiconducting Single-Walled Carbon Nanotubes: Molecular Strategy and Mechanism

  摘要：

  Single-walled carbon nanotubes (SWCNTs) have the potential to revolutionize nanoscale electronics and power sources; however, their low purity and high separation cost limit their use in practical applications. Here we present a supramolecular chemistry-based one-pot, less expensive, scalable, and highly efficient separation of a solubilizer/adsorbent-free pure semiconducting SWCNT (sc-SWCNT) using flavin/isoalloxazine analogues with different substituents. On the basis of both experimental and computational simulations (DFT study), we have revealed the molecular requirements of the solubilizers as well as provided a possible mechanism for such a highly efficient selective sc-SWCNT separation. The present sorting method is very simple (one-pot) and gives a promising sc-SWCNT separation methodology. Thus, the study provides insight for the molecular design of an sc-SWCNT solubilizer with a high (n,m)-chiral selectivity, which benefits many areas including semiconducting nanoelectronics, thermoelectric, bio and energy materials, and devices using solubilizer-free very pure sc-SWCNTs.

  DOI：

  10.1021/jacs.0c03994

文献信息

• METHODS FOR SEPARATING CARBON NANOTUBES
  申请人：Papadimitrakopoulos Fotios

  公开号：US20100044230A1

  公开（公告）日：2010-02-25

  Disclosed herein too is a method that includes dispersing nanotubes in media that comprises flavin moieties substituted with solubilizing side chains, and/or non-flavin containing molecular species; self-assembling the flavin moieties and other non-flavin containing molecular species in a pattern that is orderly wrapped around the nanotubes to form a composite; introducing desired amounts of an optional reagent that competes with self-assembly in order to disturb the wrapping around nanotubes with moderate order; and centrifuging the mass of the nanotubes and the composites to extract the composite from other nanotubes that are not in composite form.

  本文还公开了一种方法，其中包括将纳米管分散在介质中，该介质包含用可溶性侧链取代的黄酮衍生物和/或非黄酮含量的分子物种；自组装黄酮衍生物和其他非黄酮含量的分子物种，以有序地缠绕在纳米管周围形成复合物；引入所需量的可选试剂，该试剂与自组装竞争，以扰乱中度有序的纳米管周围的缠绕；并离心纳米管和复合物的质量，以从未形成复合物的其他纳米管中提取复合物。
• METHOD FOR SEPARATING METALLIC SINGLE-WALLED CARBON NANOTUBE FROM SEMICONDUCTIVE SINGLE-WALLED CARBON NANOTUBE
  申请人：KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION

  公开号：US20160137505A1

  公开（公告）日：2016-05-19

  Provided is a novel method for efficiently separating a metallic SWNT and a semiconducting SWNT from single-walled carbon nanotubes (SWNTs). The present invention is a method for separating a metallic SWNT and a semiconducting SWNT from SWNTs, said method comprising: dispersing the SWNTs in a solution containing a low-molecular-weight compound having an alkyl chain moiety for exhibiting solubility in a solvent and an aromatic-ring-containing moiety for interacting with the SWNTs; and separating the dispersion into a solution fraction and a solid fraction.
• METALLIC AND SEMICONDUCTOR NANOTUBES, NANOCOMPOSITE OF SAME, PURIFICATION OF SAME, AND USE OF SAME
  申请人：Papadimitrakopoulos Fotios

  公开号：US20160298030A1

  公开（公告）日：2016-10-13

  A braided nanocomposite comprises a plurality of superhelix nanocomposites reversibly combined in a braided helical configuration, each of the superhelix nanocomposites comprises: an (n,m)-single wall carbon nanotube ((n,m)-SWNT); a plurality of flavin moieties disposed in a helix which is self-assembled around the (n,m)-SWNT; and a writhe formed by coiling of the (n,m)-SWNT, wherein the plurality of superhelix nanocomposites reversibly combines to form the braided nanocomposite. A method for removing a surface defect from nanocomposites comprises: disposing a nanocomposite in a first medium, the nanocomposite comprising: an (n,m)-SWNT; and a plurality of flavin moieties disposed on the (n,m)-SWNT, a portion of the plurality of flavin moieties being arranged in a helix on the (n,m)-SWNT; contacting the nanocomposite with a second medium; and annealing the surface defect among the plurality of flavin moieties disposed on the (n,m)-SWNT to remove the surface defect from the nanocomposite to form an annealed nanocomposite.
• US8193430B2
  申请人：——

  公开号：US8193430B2

  公开（公告）日：2012-06-05
• Supramolecular Chemistry-Based One-Pot High-Efficiency Separation of Solubilizer-Free Pure Semiconducting Single-Walled Carbon Nanotubes: Molecular Strategy and Mechanism
  作者：Naotoshi Nakashima、Masashi Fukuzawa、Kanako Nishimura、Tsuyohiko Fujigaya、Yuichi Kato、Aleksandar Staykov

  DOI：10.1021/jacs.0c03994

  日期：2020.7.8

  Single-walled carbon nanotubes (SWCNTs) have the potential to revolutionize nanoscale electronics and power sources; however, their low purity and high separation cost limit their use in practical applications. Here we present a supramolecular chemistry-based one-pot, less expensive, scalable, and highly efficient separation of a solubilizer/adsorbent-free pure semiconducting SWCNT (sc-SWCNT) using flavin/isoalloxazine analogues with different substituents. On the basis of both experimental and computational simulations (DFT study), we have revealed the molecular requirements of the solubilizers as well as provided a possible mechanism for such a highly efficient selective sc-SWCNT separation. The present sorting method is very simple (one-pot) and gives a promising sc-SWCNT separation methodology. Thus, the study provides insight for the molecular design of an sc-SWCNT solubilizer with a high (n,m)-chiral selectivity, which benefits many areas including semiconducting nanoelectronics, thermoelectric, bio and energy materials, and devices using solubilizer-free very pure sc-SWCNTs.