1-苄基-1,4-二氢烟酰胺二聚体 | 67146-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-苄基-1,4-二氢烟酰胺二聚体
• 英文名称: 1,1'-dibenzyl-1,4,1',4'-tetrahydro-[4,4']bipyridinyl-3,3'-dicarboxylic acid diamide
• 英文别名: 1-Benzyl-1,4-dihydronicotinamide dimer；1-benzyl-1,4-dihydronicotinamide；1,1'-dibenzyl-1,4,1',4'-tetrahydro-[4,4']bipyridyl-3,3'-dicarboxylic acid diamide；1,1'-Dibenzyl-1,4,1',4'-tetrahydro-[4,4']bipyridyl-3,3'-dicarbonsaeure-diamid；1,1'-Dibenzyl-1,1',4,4'-tetrahydro-[4,4'-bipyridine]-3,3'-dicarboxamide；1-benzyl-4-(1-benzyl-3-carbamoyl-4H-pyridin-4-yl)-4H-pyridine-3-carboxamide
• CAS: 67146-57-0
• 化学式: C₂₆H₂₆N₄O₂
• 分子量: 426.518
• InChiKey: JBHCNQFJZGFRJN-UHFFFAOYSA-N

物化性质

• 沸点：
  745.2±60.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-苄基-1,4-二氢烟酰胺二聚体 在 足球烯 作用下， 以 苯甲腈 为溶剂， 生成 1-benzyl-3-carbamoylpyridinium ion
  参考文献：
  名称：

  使用 NADH 和 NAD 二聚体类似物通过光致电子转移选择性地单电子和双电子还原 C60

  摘要：

  C60 到 C60•- 的选择性单电子还原是通过从 NADH 类似物、1-苄基-1,4-二氢烟酰胺 (BNAH) 和二聚体类似物 [(BNA)2] 到激发的三重态的光诱导电子转移来实现的C60 状态。在 (BNA)2 的情况下，形成 C60•- 的极限量子产率超过了 1；Φ∞ = 1.3。在这种情况下，从 (BNA)2 到三重激发态 (3C60*) 的初始电子转移之后是在所得 (BNA)2•+ 中快速的 C−C 键裂解，得到 BNA• 和 BNA+ 以及第二个电子当 (BNA)2 作为双电子供体产生 2 当量的 C60•- 时，从 BNA• 到 C60 的转移产生 BNA+ 和 C60•-。当 BNAH 被 4-叔丁基化 BNAH (t-BuBNAH) 取代时，与 C60 的光化学反应生成的不是 C60•-，而是选择性地生成叔丁基化阴离子 (t-BuC60-)。在这种情况下，

  DOI：

  10.1021/ja9813459
• 作为产物：
  描述：

  3-(氨基羰基)-1-苄基吡啶鎓氯化物 在 氨 作用下， 生成 1-苄基-1,4-二氢烟酰胺二聚体
  参考文献：
  名称：

  Variability of Ostrich Egg Production on a Farm in Northern Italy

  摘要：

  In Italy, ostrich breeding is a growing business, due to consumer demands for alternative meat, but little information is available on egg production. The purpose of this study was to describe productive and reproductive performance on an ostrich farm in northern Italy and to identify factors influencing egg and chick weight. Eggs were collected from five trios (one male per two females), incubated, and candled at 13, 26, and 38 d. Egg weight was recorded at collection, at set, and at each candling. Chicks were weighed at hatch. Fertility was 69.7%, whereas hatchability of egg set and of fertile eggs were 51.5 and 73.9%, respectively. Egg weight was 1,558 and 1,530 g at collection and at set, respectively, and the mean egg weight loss (14.2%) from set to 38 d was in the normal range for ostriches. There was a positive association between egg weight at collection and both egg weight during incubation and chick weight. Egg weight at set and at first candling decreased as storage time increased (-3.5 and -2.9 g/d, respectively). Eggs laid in March were heavier and had the greatest weight losses. Results show that the main source of variability for egg weight as well as fertility and hatchability was the trio rather than environmental conditions.

  DOI：

  10.1093/japr/11.3.332

文献信息

• QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES
  申请人：Fukuzumi Shunichi

  公开号：US20100004454A1

  公开（公告）日：2010-01-07

  An electron donor-acceptor dyad is provided that can provide a charge-separated state with longevity and not only high oxidizing power but also high reducing power. A compound of the present invention is a quinolinium ion derivative represented by the following formula (I), a stereoisomer or tautomer thereof, or a salt thereof: where R 1 is a hydrogen atom or an alkyl group, and Ar 1 to Ar 3 each are a hydrogen atom or an electron-donating group. The compound of the present invention has the above-mentioned structure and therefore can provide a charge-separated state with longevity and not only high oxidizing power but also high reducing power and can be used for various products such as photocatalysts, photosensitizers, dyes, oxidants, reductants, dye-sensitized solar cells, and organic EL devices.

  提供了一个电子给体-受体二聚体，可以提供一个具有长寿命的电荷分离状态，不仅具有高氧化能力，而且具有高还原能力。本发明的化合物是由以下式(I)表示的喹啉离子衍生物，其立体异构体或互变异构体，或其盐： 其中R1是氢原子或烷基，Ar1至Ar3分别是氢原子或电子给体基团。本发明的化合物具有上述结构，因此可以提供一个具有长寿命的电荷分离状态，不仅具有高氧化能力，而且具有高还原能力，并且可用于各种产品，如光催化剂、光敏剂、染料、氧化剂、还原剂、染料敏化太阳能电池和有机EL器件。
• A classical but new kinetic equation for hydride transfer reactions
  作者：Xiao-Qing Zhu、Fei-Huang Deng、Jin-Dong Yang、Xiu-Tao Li、Qiang Chen、Nan-Ping Lei、Fan-Kun Meng、Xiao-Peng Zhao、Su-Hui Han、Er-Jun Hao、Yuan-Yuan Mu

  DOI：10.1039/c3ob40831k

  日期：——

  activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were

  根据过渡态理论，使用氢化物​​供体的莫尔斯型自由能曲线释放氢化物阴离子和氢化物受体以捕获氢化物阴离子，开发了一种经典但新颖的动力学方程式，用于估算各种氢化物转移反应的活化能。 187个典型的氢化物自交换反应和超过3万个氢化物交叉转移反应的活化能 乙腈被安全地估计在这项工作中。由于动力学方程式的发展仅基于氢化物转移反应物的相关化学键变化，因此该动力学方程式也应适用于质子转移反应，氢原子转移反应以及所有其他涉及断裂和化学反应的化学反应。化学键的形成。这项工作最重要的贡献之一是实现了氢化物转移反应动力学方程和热力学方程的完美统一。
• Oxidation Mechanism of NAD Dimer Model Compounds
  作者：Matthias Patz、Yoshihiro Kuwahara、Tomoyoshi Suenobu、Shunichi Fukuzumi

  DOI：10.1246/cl.1997.567

  日期：1997.6

  The oxidation of a dimeric N-benzyldihydronicotinamide with various oxidants such as quinones, triphenyl carbenium ions and a triplet exited tris(bipyridine) ruthenium(II) complex occurs via initial outer-sphere electron transfer followed by fast C–C bond cleavage and second electron transfer. The kinetic studies allow the determination of the oxidation potential of this compound.

  二聚 N-苄基二氢烟酰胺与各种氧化剂（如醌、三苯基碳鎓离子和三重态三（联吡啶）钌 (II) 络合物的氧化）通过初始外球电子转移随后快速 C-C 键断裂和第二电子发生转移。动力学研究可以确定该化合物的氧化电位。
• Scandium Ion-Promoted Photoinduced Electron-Transfer Oxidation of Fullerenes and Derivatives by <i>p</i>-Chloranil and <i>p</i>-Benzoquinone
  作者：Shunichi Fukuzumi、Hisahiro Mori、Hiroshi Imahori、Tomoyoshi Suenobu、Yasuyuki Araki、Osamu Ito、Karl M. Kadish

  DOI：10.1021/ja016335d

  日期：2001.12.19

  3C(60) to p-benzoquinone increases with an increase in Sc(3+) concentration ([Sc(3+)]) to exhibit a first-order dependence on [Sc(3+)], changing to a second-order dependence at the high concentrations. Such a mixture of first-order and second-order dependence on [Sc(3+)] is also observed for a Sc(3+)-promoted electron transfer from CoTPP (TPP(2-) = tetraphenylporphyrin dianion) to p-benzoquinone. This

  在三氟甲磺酸钪的存在下，发生从 C(60) 的三重激发态到对氯苯醌的有效光诱导电子转移，产生 C(60) 自由基阳离子，其在 980 nm 处具有诊断性 NIR（近红外）吸收带，而在苯甲腈中不存在钪离子的情况下，不会发生从 C(60) (3C(60)) 的三重激发态到对氯苯醌的光致电子转移。电子转移速率服从准一级动力学，准一级速率常数随着对氯苯醌浓度的增加而线性增加。观察到的电子转移 (k(et)) 的二阶速率常数随着钪离子浓度的增加而线性增加。与 C(60)/p-氯醌/Sc(3+) 系统的情况相比，从 3C(60) 到对苯醌的电子转移的 k(et) 值随着 Sc(3+) 浓度 ([Sc(3+)]) 的增加而增加，以表现出对 [Sc(3) +)]，在高浓度下变为二阶依赖性。对于从 CoTPP（TPP(2-) = 四苯基卟啉二价阴离子）到对苯醌的 Sc(3+) 促进的电子转移，也观察到了对 [Sc(3+)]
• Semiconductor photocatalysis: quantised CdS-catalysed photoformation of 1-benzyl-1,4-dihydronicotinamide (BNAH) from 1-benzylnicotinamide (BNA+)
  作者：Tsutomu Shiragami、Shinako Fukami、Chyongjin Pac、Shozo Yanagida

  DOI：10.1039/ft9938901857

  日期：——

  Freshly pepared CdS suspensions (CdS-0) consisting of quantised particles and their loose aggregates catalyse the photoreduction of 1-benzylnicotinamide (BNA+) in water under visible-light irradiation using triethylamine (TEA) as a sacrificial electron donor. Isomeric dimers of (BNA)2 are also found as one-electron reduction products from BNA+, whereas the photocatalysis of commercially available CdS powder (Aldrich, CdS-Ald) leads only to the formation of the dimers. The formation of cadmium metal (Cd0) on the lattice is indispensable for the photoformation of BNAH, suggesting that the eventual two-electron reduction on irradiation of CdS-0 with TEA in water, should proceed through hydrogen atom transfer from Cd0—H formed on the lattice of CdS-0.

  在可见光照射下，以三乙胺（TEA）为牺牲电子供体，由定量颗粒及其松散聚集体组成的新制备的 CdS 悬浮液（CdS-0）可催化水中的 1-苄基烟酰胺（BNA+）的光还原反应。(BNA)2 的异构体二聚体也作为 BNA+ 的单电子还原产物被发现，而市售 CdS 粉末（Aldrich，CdS-Ald）的光催化只导致二聚体的形成。晶格上金属镉（Cd0）的形成对于 BNAH 的光转化是不可或缺的，这表明在水中用三乙醇胺辐照 CdS-0 时，最终的双电子还原应通过 CdS-0 晶格上形成的 Cd0-H 的氢原子转移进行。