adipodihydroxamic acid | 4726-83-4

• 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
• 英文名称: adipodihydroxamic acid
• 英文别名: adipohydroxamic acid；hexanedihydroxamic acid；adipo-bis-hydroxamic acid；Adipobishydroxamsaeure；Adipoylhydroxamsaeure；Adipohydroxamsaeure；N,N'-dihydroxyhexanediamide
• CAS: 4726-83-4
• 化学式: C₆H₁₂N₂O₄
• 分子量: 176.172
• InChiKey: ZOWOMQHGTYQRDI-UHFFFAOYSA-N

物化性质

• 密度：
  1.310±0.06 g/cm3(Predicted)
• 熔点：
  164 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  adipodihydroxamic acid 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 己二酰二胺
  参考文献：
  名称：

  Catalytic Hydrogenolysis of Hydroxamic Acids to Amides

  摘要：

  DOI：

  10.1021/jo01040a530
• 作为产物：
  描述：

  己二酸二乙酯 在 甲醇 、 羟胺 作用下， 生成 adipodihydroxamic acid
  参考文献：
  名称：

  Hurd; Botteron, Journal of Organic Chemistry, 1946, vol. 11, p. 210

  摘要：

  DOI：

文献信息

• [EN] ISOCYANATES, DERIVATIVES, AND PROCESSES FOR PRODUCING THE SAME<br/>[FR] ISOCYANATES, DÉRIVÉS, ET LEURS PROCESSUS DE PRODUCTION
  申请人：NOVOMER INC

  公开号：WO2019070981A1

  公开（公告）日：2019-04-11

  The present invention is directed to processes for producing isocyanates and isocyanate derivatives from epoxide and carbon monoxide reagents. In preferred embodiments, the processes include a step for providing carbonylation of an epoxide reagent with a carbon monoxide reagent to produce a beta-lactone intermediate. In certain preferred embodiments, further carbonylation of a beta-lactone intermediate produces a succinic anhydride intermediate. The processes of the present invention include steps for rearranging beta-lactone intermediates and/or succinic anhydride intermediates to produce isocyanate products and/or isocyanate derivatives. In certain preferred embodiments, the isocyanate products may be copolymerized with polyol oligomers to provide polyurethane products.

  本发明涉及使用环氧和一氧化碳试剂生产异氰酸酯和异氰酸酯衍生物的方法。在首选实施方式中，该方法包括提供环氧试剂与一氧化碳试剂的羰基化步骤，以产生β-内酰胺中间体。在某些首选实施方式中，进一步对β-内酰胺中间体进行羰基化，产生琥珀酸酐中间体。本发明的方法包括重新排列β-内酰胺中间体和/或琥珀酸酐中间体的步骤，以产生异氰酸酯产品和/或异氰酸酯衍生物。在某些首选实施方式中，异氰酸酯产品可以与聚醇寡聚体共聚，以提供聚氨酯产品。
• Novel elimination of hydroxylamine and formation of a nickel tetramer on reactions of glutarodihydroxamic acid with model dinickel hydrolases‡
  作者：David A. Brown、Laurence P. Cuffe、Noel J. Fitzpatrick、William K. Glass、Kara Herlihy、Hassan Nimir、Oliver Deeg、William Errington、Terence J. Kemp

  DOI：10.1039/a806911e

  日期：——

  Reactions of glutarodihydroxamic acid with the hydrolase enzyme urease models, [Ni2(µ-H2O)(OAc)4(tmen)2] and [Ni2(OAc)3(urea)(tmen)2][OTf], lead to novel hydroxylamine elimination and formation of [Ni2(OAc)2µ-O(N)(OC)2(CH2)3}(tmen)2][OTf] and the tetramer [Ni4(OAc)2(gluA2)2(tmen)4][OTf]2, respectively, both of which are structurally characterised by X-ray crystallography.

  戊二羟肟酸与水解酶脲酶模型 [Ni2(µ-H2O)(OAc)4(tmen)2] 和 [Ni2(OAc)3(urea)(tmen)2][OTf] 的反应，产生新型羟胺消除和形成 [Ni2(OAc)2µ-O(N)(OC)2(CH2)3}(tmen)2][OTf] 和分别是四聚体[Ni4(OAc)2(gluA2)2(tmen)4][OTf]2，两者均通过X射线晶体学进行了结构表征。
• Polyfunctional aliphatic and cycloaliphatic cyclic nitrile sulfites and
  申请人：Atlantic Richfield Company

  公开号：US03979401A1

  公开（公告）日：1976-09-07

  The disclosure is of compounds of the formula: ##EQU1## WHEREIN R is aliphatic hydrocarbon, X is sulfur (S) or carbon (C) and n is an integer of 1 to 3. The compounds are useful as easily-storable, polyisocyanate generators, especially the essentially-chlorine free compounds.

  公开的化合物式为：##EQU1## 其中R是脂肪烃，X是硫（S）或碳（C），n是1至3的整数。这些化合物可用作易于储存的多异氰酸酯生成剂，特别是基本无氯化合物。
• Structure determination of dihydroxamic acids and their trimethylsilyl derivatives by NMR spectroscopy
  作者：Jan Schraml、Magdalena Kv�?alov�、Vratislav Blechta、Ludmila Soukupov�、Otto Exner、Hans-Michael Boldhaus、Frank Erdt、Claus Bliefert

  DOI：10.1002/1097-458x(200009)38:9<795::aid-mrc732>3.0.co;2-a

  日期：2000.9

  and hydroximic structures, the most reliable parameter is the 15N chemical shift, which differs in the two classes of compounds by about 120 ppm. To differentiate E and Z hydroxamic conformers 13C chemical shifts of C O groups are preferable to 15N chemical shifts but for distinguishing E and Z isomers of the hydroximic structure both 15N and 13C NMR of the C N group are useful. 17O NMR data are of

  制备同源系列的二异羟肟酸 [HONHCO(CH2)nCONHOH，n = 0、1、2、3、4 和 6] 并进行三甲基甲硅烷基化 [1(n) 和 2(n)]。1(n) 的溶液 NMR 光谱 (1H, 13C, 15N) 表明异羟肟端基假定构象异构体的 Z-Z 和 Z-E 组合。一个例外是草酰二异羟肟酸，它假定只有一种组合。13C 交叉极化魔角旋转再现了该化合物的溶液化学位移，并表明了之前通过 X 射线衍射确定的 Z-Z 组合。三甲基甲硅烷基化生成两端均具有羟基结构的化合物，两个基团都被二甲硅烷基化。Z-Z、Z-E 和 E-E 异构体组合在光谱中可见，并且可以确定它们的比例。同样，草酰二羟肟酸衍生物是一个例外：只发现了一种硅烷化产物，无法确定其几何形状。选择性去耦实验（15N1H} 和 13C1H}）是用于识别 E 和 Z 构象异构体的 15N 富集的廉价替代方法。为了区分异羟肟和异羟肟结构，最可靠的参数是
• Conformational behaviour of hydroxamic acids: ab initio and structural studies
  作者：David A. Brown、Raymond A. Coogan、Noel J. Fitzpatrick、William K. Glass、Dau E. Abukshima、Loreto Shiels、Markku Ahlgrén、Kimmo Smolander、Tuula T. Pakkanen、Tapani A. Pakkanen、Mikael Peräkylä

  DOI：10.1039/p29960002673

  日期：——

  The conformational behaviour of a series of monohydroxamic acids, p-RC(6)H(4)CONR'OH (R = Me, R' = H, Me; R = MeO, R' = H, Me; R = NO2, R' = H), and a series of dihydroxamic acids, (CH2)(n)(CONR'OH)(2) (n = 3-8, 10, R' = H and n = 7, R' = Me), in methanol, DMSO and chloroform and in the solid state has been examined using IR and NMR spectroscopy, X-Ray crystal structure determinations of p-MeC(6)H(4)CONMeOH and the monohydrate of glutarodihydroxamic acid (n = 3) together with ab initio molecular orbital calculations for several hydrated and unhydrated hydroxamic acids have been performed. Hydrogen bonding effects are shown to be important in both the solid state and solution, The cis(Z) conformation of the hydroxamate group(s) (CONHOH) is preferentially stabilized by hydrogen bonding with water molecules.