Verb. No. 117 (Table V) | 63920-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Verb. No. 117 (Table V)
• 英文别名: 1H-tetrazole-5-carboxylic acid anilide；1H-Tetrazol-5-carbonsaeure-anilid；1H-Tetrazole-5-carboxanilide；N-phenyl-2H-tetrazole-5-carboxamide
• CAS: 63920-70-7
• 化学式: C₈H₇N₅O
• 分子量: 189.176
• InChiKey: RLKPJTQKNVERIB-UHFFFAOYSA-N

物化性质

• 熔点：
  214-216 °C
• 密度：
  1.497±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯基氨基甲酰氰 在 叠氮基三甲基硅烷 、 二正丁基氧化锡 作用下， 以 甲苯 为溶剂， 以87%的产率得到Verb. No. 117 (Table V)
  参考文献：
  名称：

  4,5-Dioxo-imidazolinium Cation Activation of 1-Acyl-1-carbamoyl Oximes: Access to Cyanoformamides Using Dichloroimidazolidinedione

  摘要：

  Cyanoformamides are prevalent as versatile building blocks for accessing synthetically useful intermediates and biologically active compounds. The development of a milder, simpler, and more efficient approach to cyanoformamides is nontrivial. Herein, we demonstrate the effectiveness of 4,S-dioxo-imidazolinium cation activation for transforming 1-aryl-1-carbamoyl oximes to cyanoformamides. By making use of the readily available and highly modifiable dichloroimidazolidinediones (DCIDs), this novel method of activation offers reactivity remarkably greater than that of other reported protocols, exhibits a high functional group compatibility with mild conditions, and could be scaled up easily. More than 30 examples are demonstrated with good to excellent yields in short reaction times. This research not only provides a mild and efficient alternative approach to assembling a portfolio of cyanoformamides but also extends the dichloroimidazolidinedione-mediated chemistry to encompass the C-C bond cleavage reaction.

  DOI：

  10.1021/acs.joc.9b02992

文献信息

• Tetrazolcarboxanilid derivatives
  申请人：Lilly Industries Limited

  公开号：EP0147973A1

  公开（公告）日：1985-07-10

  There are described compounds of the formula in which R' is hydrogen or C1-6 alkyl, R2 is hydrogen, C1-6 alkyl or C3-6 alkenyl, R3 is hydrogen or C1-6 alkyl, R4 is hydrogen or an N-protecting group, n is 2, 3, 4 or 5, and X is oxygen, sulphur or -CH2-, provided that when X is -CH2- n is 0; and salts thereof. The compounds in which R4 is hydrogen have pharmaceutical activity.

  所述化合物的化学式为 其中 R' 是氢或 C1-6 烷基，R2 是氢、C1-6 烷基或 C3-6 烯基，R3 是氢或 C1-6 烷基，R4 是氢或 N-保护基团，n 是 2、3、4 或 5，X 是氧、硫或 -CH2-，条件是当 X 是 -CH2- 时 n 为 0；及其盐类。其中 R4 为氢的化合物具有药物活性。
• Use of tetrazole-5-carboxanilides in the treatment of transplant rejection or arthritic, autoimmune or connective tissue disorders
  申请人：MAY & BAKER LIMITED

  公开号：EP0337701A2

  公开（公告）日：1989-10-18

  The invention provides a method for the treatment of a human or animal patient suffering from, or subject to, an arthritic or related autoimmune disorder, a connective tissue disorder or transplant rejection, using a compound which is a tetrazole derivative of the formula: wherein R¹ represents halogen, alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylsulphamoyl, dialkylsulphamoyl, dialkylamino, dialkylcarbamoyl, alkanoyl, alkoxycarbonyl, alkoxycarbonylamino, alkylcarbamoyl, alkanoylamino, cycloalkylcarbonyl, hydroxy, formyl, nitro, trifluoromethyl, trifluoroacetyl, aryl, benzyloxycarbonyl­amino, amino, sulphamoyl, cyano, tetrazol-5-yl, carboxy, carbamoyl, benzyloxy, aralkanoyl, aroyl, or a group of the formula -CR²=NOR³ wherein R² represents hydrogen, alkyl, aryl, aralkyl, trifluoromethyl or cycloalkyl, and R³ represents hydrogen, alkyl, optionally substituted by phenyl, or represents optionally substituted aryl and m represents zero, 1, 2 or 3, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种治疗患有关节炎或相关自身免疫性疾病、结缔组织疾病或移植排斥反应的人类或动物患者的方法，使用的化合物是式中的四唑衍生物： 其中 R¹ 代表卤素、烷基、烷氧基、烷硫基、烷基亚磺酰基、烷基磺酰基、烷基磺酰胺酰基、二烷基磺酰胺酰基、二烷基氨基、二烷基氨基甲酰基、烷酰基、烷氧羰基、烷氧基羰基氨基、烷氧基羰基氨基、烷氧基羰基氨基、烷氧基羰基氨基、烷氧基羰基氨基、烷氧基羰基氨基、烷氧基羰基氨基、烷基氨基甲酰基、烷酰氨基、环烷基羰基、羟基、甲酰基、硝基、三氟甲基、三氟乙酰基、芳基、苄氧羰基氨基、氨基、氨基磺酰基、氰基、四唑-5-基、羧基、氨基甲酰基、苄氧基、芳基、芳烷基或式 -CR²=NOR³ 的基团，其中 R² 代表氢、烷基、芳基、芳烷基、三氟甲基或环烷基，R³ 代表氢、任选被苯基取代的烷基或任选被取代的芳基，m 代表 0、1、2 或 3，或其药学上可接受的盐。
• Method of treating CD30 positive lymphomas
  申请人：Von Strandmann Pogge Elke

  公开号：US20060177442A1

  公开（公告）日：2006-08-10

  Methods for treating lymphomas characterized by expression of CD30 using anti-CD30 antibodies and proteasome inhibitors in combination are disclosed.

  本研究公开了使用抗 CD30 抗体和蛋白酶体抑制剂联合治疗以表达 CD30 为特征的淋巴瘤的方法。
• 5-Aroyltetrazoles¹
  作者：BENJAMIN E. FISHER、ARTHUR J. TOMSON、J. P. HORWITZ

  DOI：10.1021/jo01093a007

  日期：1959.11
• METHODS OF TREATING CD30 POSITIVE LYMPHOMAS
  申请人：MEDAREX, INC.

  公开号：EP1802345A2

  公开（公告）日：2007-07-04