2-cyano-2-hydroximinoacetamide sodium | 34968-50-8

• 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: 2-cyano-2-hydroximinoacetamide sodium
• 英文别名: sodium nitrosocarbamylcyanomethanide；sodium salt of 2-hydroxyimino-2-cyanoacetic acid amide；sodium salt of 2-cyano-2-oximino-acetamide；sodium salt of α-cyano-α-hydroxyimino-acetamide；sodium salt of 2-cyano-2-hydroxyiminoacetamide；2-Cyano-2-hydroxyiminoacetamide sodium salt；sodium;2-amino-N-oxido-2-oxoethanimidoyl cyanide
• CAS: 34968-50-8
• 化学式: C₃H₂N₃O₂*Na
• 分子量: 135.058
• InChiKey: BRDDLJFDFHBIKM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.06
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(氯甲基)-4-硝基苯 、 2-cyano-2-hydroximinoacetamide sodium 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以77%的产率得到Cyan(p-nitrobenzyloxyimino)acetamid
  参考文献：
  名称：

  Gewald, Karl; Bellmann, Peter; Jaensch, Hans-Joachim, Liebigs Annalen der Chemie, 1980, # 10, p. 1623 - 1629

  摘要：

  DOI：
• 作为产物：
  描述：

  氰乙酰胺 、 亚硝酸异戊酯 在 sodium 作用下， 以 乙醇 为溶剂， 生成 2-氰基-2-(甲氧基亚胺)乙酰胺 、 2-cyano-2-hydroximinoacetamide sodium
  参考文献：
  名称：

  Process for the preparation of 2-cyano-2-oximino-acetamide derivatives

  摘要：

  一种制备式为##STR1##的2-氰基-2-肟基乙酰胺衍生物的方法，其中R.sup.I是烷基或其他有机基团，R.sup.II是氢或烷基，R.sup.III是氢、烷基或其他有机基团，包括将式为##STR2##的2-氰基-2-肟基乙酰胺与碱B在0℃至100℃的温度下反应，以产生式为##STR3##的盐，其中B代表一个有机或无机碱的一个当量，并将此类盐与式为##STR4##的烷基化试剂在0℃至150℃的温度下反应。

  公开号：

  US04841086A1

文献信息

• Novel esterifying agents, and their production and use
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US03976635A1

  公开（公告）日：1976-08-24

  A process for esterifying organic carboxylic acids which comprises reacting an organic carboxylic acid with a carbonic acid ester of the formula: ##EQU1## wherein R is an organic group and X and Y are each a negative group in the presence of a basic substance to make esterified the carboxyl group in the organic carboxylic acid. The process is advantageous in affording the objective carboxylic ester in a good yield within a short time by a simple operation under a mild reaction condition.

  一种酯化有机羧酸的方法，包括将有机羧酸与碳ic酸酯反应如下公式：其中R是有机基团，X和Y分别是负离子基团，在碱性物质存在下使有机羧酸中的羧基酯化。该工艺的优点在于，在温和的反应条件下，通过简单的操作，可以在短时间内以较高的收率获得所需的羧酸酯。
• Peptides. V. Some Carbonates of Ethyl 2-Hydroximino-2-cyanoacetate and Related Compounds as Esterification Reagents for Peptide Synthesis
  作者：Masumi Itoh

  DOI：10.1246/bcsj.47.471

  日期：1974.2

  Some carbonates (III) of ethyl 2-hydroximino-2-cyanoacetate (Ia) and 2-hydroximino-2-cyanoacetamide (Ib) were prepared and utilized as simple esterification reagents for acylamino acids.

  制备了一些 2-羟基亚氨基-2-氰基乙酸乙酯 (Ia) 和 2-羟基亚氨基-2-氰基乙酰胺 (Ib) 的碳酸酯 (III) 并将其用作酰基氨基酸的简单酯化试剂。
• METHOD OF PREPARING MALONONITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND
  申请人：Shenyang Sinochem Agrochemicals R&D Co.,Ltd.

  公开号：US20220055996A1

  公开（公告）日：2022-02-24

  Provided are a method of preparing a malononitrile oxime ether compound and an intermediate compound. The malononitrile oxime ether compound has a structure as shown in formula (VII), wherein W is selected from aryl or heteroaryl. The preparation method comprises steps: reacting a first raw material with a second raw material in the presence of a first solvent and a catalyst to obtain the intermediate compound, wherein the first raw material has a structure as shown in formula (IV), and the second raw material has a structure as shown in formula (V); and subjecting the intermediate compound as shown in formula (VI), and, a dehyclrant to a dehydrantion reaction in the presence of a second solvent to obtain the malononitrile oxime ether compound. In the preparation process for the intermediate, a cheaper cyanoacetamide is used as a raw material, the reaction conditions are mild. Moreover, the yield of the intermediate compound is high and the cost of the process is low. Furthermore, the required malononitrile oxime ether compound, is obtained only through one-step dehydration reaction. Using the preparation method, is advantageous for improving the yield of malononitrile oxime ethers and reducing the cost of the process.

  提供了一种制备马隆二腈肟醚化合物和中间体的方法。马隆二腈肟醚化合物的结构如公式（VII）所示，其中W选择自芳基或杂环芳基。制备方法包括步骤：在第一溶剂和催化剂存在下，将第一原料与第二原料反应，得到中间体化合物，其中第一原料的结构如公式（IV）所示，第二原料的结构如公式（V）所示；并将中间体化合物如公式（VI）和脱水剂在第二溶剂存在下进行脱水反应，得到马隆二腈肟醚化合物。在中间体的制备过程中，使用了成本较低的氰乙酰胺作为原料，反应条件温和。此外，中间体化合物的产率高，工艺成本低。此外，所需的马隆二腈肟醚化合物仅通过一步脱水反应获得。使用该制备方法有助于提高马隆二腈肟醚化合物的产率并降低工艺成本。
• Synthesis of 3,5-disubstituted 4-aminoisoxazoles by cyclization of O-(β-oxoalkyl)-substituted α-hydroxyimino nitriles
  作者：V. P. Kislyi、E. B. Danilova、V. V. Semenov

  DOI：10.1007/s11172-005-0379-0

  日期：2005.5

  4-Amino-5-benzoyl(acetyl)isoxazole-3-carboxamides were prepared by cyclization of α-hydroxyimino nitriles O-alkylated with bromoacetophenones (bromoacetone). The purity of the target 4-aminoisoxazoles can be substantially increased by treating O-alkylated oximes with LiClO4 before cyclization.

  4- 氨基-5-苯甲酰基（乙酰基）异噁唑-3-甲酰胺是通过α-羟基亚氨基腈 O-烷基化溴代苯乙酮（溴丙酮）环化制备的。在环化之前用 LiClO4 处理 O-烷基化肟，可以大大提高目标 4-氨基异噁唑的纯度。
• Gerasimchuk, N. N.; Skopenko, V. V.; Tyukhtenko, S. I., Ukrainskij Khimicheskij Zhurnal, 1985, vol. 51/3, p. 6 - 12
  作者：Gerasimchuk, N. N.、Skopenko, V. V.、Tyukhtenko, S. I.

  DOI：——

  日期：——