Molecular Structure Analysis on the Interactive Relations of Functionalized Compounds with NMR in Solution and Solid States

• Project/Area Number: 19590002
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Chemical pharmacy
• Research Institution: Chiba University
• Principal Investigator: SEKI Hiroko Chiba University, 分析センター, 准教授 (60114245)
• Co-Investigator(Kenkyū-buntansha): KUMAMOTO Takuya 千葉大学, 大学院・薬学研究院, 准教授 (50292678)
• Project Period (FY): 2007 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000); Fiscal Year 2008: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000); Fiscal Year 2007: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
• Keywords: 機能性化合物 / 固体NMR / 分子間相互作用 / CP-MAS / 水素結合 / 分子間相亙作用

Research Abstract

ビスグアニジン型化合物と各種酸性化合物との複合体を用い、単結晶X線解析や溶液・固体NMR を組み合わせた機能性化合物の分子間相互作用を含む構造解析を行った。ビスグアニジン-ヒ酸複合体の固体NMRは想定される本数よりも多いシグナルを示した。これは複合体中のグアニジン部位が非等価であるというX線解析の結果を反映したデータであり、固体NMRが分子間相互作用を持つ複合体の構造解析に有効な手段となる可能性を示した。

Research Products

• [Journal Article] The Characterization of Various o-Bisguanidinobenzene-Benzoic Acid Complexes in Solid And in Solution States (2010)
  • Author(s): Kumamoto, T. Seki, H
  • Journal Title: Heterocycles 80巻
  • NAID: 40016900107
  • Peer Reviewed
• [Journal Article] Complexability of o-Bisguanidino- benzenes with Arsenic and Phosphoric Acids in Solution and Solid States,and the Potential Use of their Immobilized Derivatives as Solid Base Ligands for Metal Salts and Arsenic Acid (2009)
  • Author(s): Ito, T., Suda, K., Kumamoto, T., Nakanishi, W., Watanabe, T. Ishikawa, T. Seki, H. Kawahata, M. Yamaguchi, K. Ogura, Y. Kazuo T. Suzuki
  • Journal Title: Molecular Diversity
  • Peer Reviewed
• [Journal Article] Semi-quantitative Approaches to the Coordination Ability of o-Bisguanidiniobenzenes with Metal Salts (2009)
  • Author(s): Suda, K., Saito, N., Kumamoto, T
  • Journal Title: Heterocycles 77巻 Pages: 375-387
  • Peer Reviewed
• [Journal Article] NMR study on a novel mucin from jellyfish in natural abundance, qniumucin from Aurelia aurita (2009)
  • Author(s): Uzawa, J., Urai, M., Baba, T., Seki, H., Taniguchi, K., Ushida, K
  • Journal Title: J.Nat.Prod. 72巻 Pages: 818-823
  • Peer Reviewed
• [Journal Article] Complexability of o-Bisguanidinobenzenes with Arsenic and Phosphoric Acids in Solution and Solid States, and Potential use of their Immobilized Derivativesas Solid Base Ligands for Metal Salts and Arsenic Acid (2009)
  • Author(s): Ito, T.
  • Journal Title: Molecular Diversity (accepted)
  • Peer Reviewed
• [Journal Article] Semi-quantitative Approsches to the Coordination Ability of o-bisguanidiniobenzenes with Metal Salts (2009)
  • Author(s): Suda, K.
  • Journal Title: Heterocycles 77 Pages: 375-387
  • Peer Reviewed
• [Journal Article] Guanidine-Cata- lyzed Asymmetric Synthesis of 2,2-Disubstituted Chromane Skeletons by Intramolecular Oxa-Michael Addition (2008)
  • Author(s): Saito, N., Ryoda, A., Nakanishi, W., Kumamoto, T., Ishikawa, T
  • Journal Title: Eur.J.Org.Chem Pages: 2759-2766
  • Peer Reviewed
• [Journal Article] Optical Resolution of(±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate (2008)
  • Author(s): Ryoda, A., Yajima, N., Haga, T., Kumamoto,T
  • Journal Title: J.Org.Chem 73巻 Pages: 133-141
  • Peer Reviewed
• [Journal Article] Guanidine-Catalyzed Asymmetric Synthesis of 2,2-Disubstituted Chromane Skeletons by Intramolecular Oxa-Michael Addition (2008)
  • Author(s): saito, N.
  • Journal Title: Eur. J. Org. Chem. Pages: 2759-2766
  • Peer Reviewed
• [Journal Article] Optical Resolution of (±)-1,2-Bis(2-methylpheny1)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pelldant and the Guanidme-Catalyzed Asymmethc Midhael Reaction of tert-Butl Dihenyliminoacetate and Ethyl Acrylate (2008)
  • Author(s): A.Ryoda
  • Journal Title: J.Org.Chem 73 Pages: 133-141
  • Peer Reviewed
• [Journal Article] Ishikawa, Quantum-Chemical Study of 1,2-Bis-(dimethylethylene-guanidino) benzenes (2007)
  • Author(s): D. Margetic, W. Nakanishi, T. Kumamoto, T
  • Journal Title: Heterocycles 71巻 Pages: 2639-2658
  • Peer Reviewed
• [Journal Article] Total synthesis of (±)-methyl-kinamycin C (2007)
  • Author(s): T. Kumamoto, Y. Kitani, H. Tsuchiya, K.Yamaguchi, H. Seki, T. Ishikawa
  • Journal Title: Tetrahedron 63巻 Pages: 5189-5199
  • Peer Reviewed
• [Journal Article] Total synthesis of (±)-methyl-kinamyein C (2007)
  • Author(s): T.Kumamoto
  • Journal Title: Tetrahedron 63 Pages: 5189-5199
  • Peer Reviewed
• [Journal Article] Quantum-Chemical Study of 1,2-Bis(dimethylethylene-guanidino)benzenes (2007)
  • Author(s): D.Margetic
  • Journal Title: Heterocycles 71 Pages: 2639-2658
  • Peer Reviewed
• [Presentation] ポリマー固定化チロシン由来グアニジンの合成と不斉マイケル反応への適応 (2009)
  • Author(s): 平馬崇
  • Organizer: 日本薬学会第129年会
  • Place of Presentation: 京都
• [Presentation] アキラルグアニジンの不斉結晶化 (2009)
  • Author(s): 福隅正洋
  • Organizer: 日本薬学会第129年会
  • Place of Presentation: 京都
• [Presentation] 分子ジッパーに基づくロイシン誘導体フィルムの特性とその応用 (2008)
  • Author(s): 吉田清香
  • Organizer: 第57回高分子討論会
  • Place of Presentation: 大阪
  • Year and Date: 2008-09-24
• [Presentation] ビスグアニジン型化合物の金属カチオンとの親和性:環境浄化試薬開発を指向した金属塩補足の評価 (2008)
  • Author(s): 関宏子
  • Organizer: 第75回日本分析化学会有機微量分析研究懇談会・第77回計測自動制御学会力学量計測部会・第25回合同シンポジウム
  • Place of Presentation: 金沢
  • Year and Date: 2008-05-30
• [Presentation] ポリマー固定化グアニジン触媒の開発 (2008)
  • Author(s): 平馬崇
  • Organizer: 第56回有機合成化学協会関東支部シンポジウム
  • Place of Presentation: 新潟
• [Presentation] ビスグアニジン型化合物の金属カチオンとの親和性 : 環境浄化試薬開発を指向した金属塩補足の評価 (2008)
  • Author(s): 関宏子
  • Organizer: 第75回日本分析化学会有機微量分析研究懇談会・第77回計測自動制御学会力学量計測部会第・25回合同シンポジウム
  • Place of Presentation: 金沢
• [Presentation] 水質浄化を指向したグアニジン型機能性触媒の開発 (2008)
  • Author(s): 須田幸司
  • Organizer: 日本薬学会第128年会
  • Place of Presentation: 横浜
• [Presentation] 水質浄化を指向したグアニジン型機能性触媒の開発:有機化学をベースとした環境問題への挑戦 (2007)
  • Author(s): 須田 幸司
  • Organizer: 第33回反応と合成の進歩シンポジウム
  • Place of Presentation: 長崎
  • Year and Date: 2007-11-05
• [Presentation] 光学活性グアニジンを用いる不斉マイケル反応 (2007)
  • Author(s): 熊本卓哉
  • Organizer: 第37回複素環化学討論会
  • Place of Presentation: 長野
• [Presentation] 新規イメージングを目指した導電性ポリマー膜の重合・解重合・再重合 (Electropolymerization, depolymerization,and repolymerization of conducting polymer film and its application to novel imaging process) (2007)
  • Author(s): 金商国
  • Organizer: The 99th Annual Conference of the Imaging Society of Japan "Imaging Conference JAPAN 2007"
  • Place of Presentation: 東京
• [Presentation] Enantioselective Michael Reactions Catalyzed by Chiral Guanidines (2007)
  • Author(s): 熊本卓哉
  • Organizer: International Conference on Asymmetric Organocatalysis
  • Place of Presentation: 大津
• [Presentation] Enantioselective Midlael Reactions Catalyzed by Chiral Guanidines (2007)
  • Author(s): 熊本 卓哉
  • Organizer: International Conference on Asymmetric Organocatalysis
  • Place of Presentation: 大津
• [Book] John Wiley & Sons (2009)
  • Author(s): 石川勉, 熊本卓哉
  • Total Pages: 326
  • Publisher: Superbases for Organic Synthesis Guanidines, Amidines, Phosphazenes and Related Organocatalysts
• [Book] Superbases for Organic Synthesis Guanidines, Amidines, Phosphazenes and Related Organocatalysts (2009)
  • Author(s): 石川勉, 熊本卓哉
  • Total Pages: 326
  • Publisher: John Wiley & Sons
• [Remarks] BGとヒ酸との相互作用を利用した水の浄化に関する研究が日本薬学会第128年会(2008年)のハイライトに採択(タイトル : 「環境問題への挑戦! 有機化学が飲み水をきれいにする?」)
• [Patent(Industrial Property Rights)] グアニジン化合物及びグアニジン化合物のポリマー固定化複合体 (2008)
  • Inventor(s): 石川勉, 平馬崇, 熊本卓也
  • Industrial Property Rights Holder: 国立大学法人千葉大学
  • Filing Date: 2008-11-07