N-(2.6-Dichlorphenyl)-N'-phenylharnstoff | 63105-17-9

• 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: N-(2.6-Dichlorphenyl)-N'-phenylharnstoff
• 英文别名: N-(2,6-Dichlorophenyl)-N'-phenylurea；1-(2,6-dichlorophenyl)-3-phenylurea
• CAS: 63105-17-9
• 化学式: C₁₃H₁₀Cl₂N₂O
• 分子量: 281.141
• InChiKey: WBEMITMBBRBUFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 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：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-(2,6-Dichlor-phenyl)-3-phenyl-1.2.3.5-oxathiadiazol-S-oxid 在 盐酸 作用下， 生成 N-(2.6-Dichlorphenyl)-N'-phenylharnstoff
  参考文献：
  名称：

  Synthesis of 1,2,3,5-oxathiadiazole 2-oxides from amidoximes and thionyl chloride and the mechanism of their thermally induced fragmentation and rearrangement to carbodiimides

  摘要：

  DOI：

  10.1021/jo00441a011

文献信息

• The intramolecular NH···Cl hydrogen bond in urea derivatives containing the o-chlorophenyl group
  作者：Yoshiyuki Mido、Tomoko Okuno

  DOI：10.1016/0022-2860(82)85230-7

  日期：1982.6

  disubstituted ureas containing a halophenyl group have been examined in order to directly confirm the presence of an intramolecular NH···Cl hydrogen bond in the o -chloro analog. In chlorophenyl derivatives the v (N-H) band for the N-H bond adjacent to an o -chlorophenyl group is always lower than that for a N-H bond adjacent to a phenyl, m - or p -chlorophenyl group. The corresponding band in N-o -halophenyl-

  摘要 为了直接证实邻氯类似物中分子内NH…Cl氢键的存在，已经研究了各种含有卤代苯基的双取代脲的溶液v (NH)振动。在氯苯基衍生物中，与邻氯苯基相邻的 NH 键的 v (NH) 带总是低于与苯基、间氯苯基或对氯苯基相邻的 NH 键的 v (NH) 带。No -halophenyl-N' -phenylureas, o -XPhUPh [U = HNC(O)NH] 中的相应谱带随着卤素原子大小或重量的增加而显着降低波数。o -XPhUPh 衍生物被推断为两个分子内 NH…X 氢键形式，NH 与 CO 基团反式或顺式。
• Ureas from<i>N</i>-Chloroamidines; An Aza-Analogous Hofmann Degradation
  作者：Helmut Sonnenschein、Ernst Schmitz

  DOI：10.1055/s-1989-27280

  日期：——

  N-Chlorination and subsequent treatment with alkali of suitably substituted benzamidines yields ureas with phenyl or alkyl migration. Under the same conditions, 2-iminopyrrolidine is converted into 2-oxohexahydropyrimidine with ring enlargement.

  对适当取代的苯甲脒进行 N-氯化，然后用碱处理，可得到具有苯基或烷基迁移的脲。 在相同的条件下，2-亚氨基吡咯烷可转化为 2-氧代六氢嘧啶，同时环会扩大。
• A Study on the Stability of 5,5-Diamino-substituted-1,4,2-oxathiazoline Derivatives
  作者：Keum Shin Jung、Hong Jung Lee、Hyun Nam Song、Jae Nyoung Kim

  DOI：10.1080/00397919808007019

  日期：1998.5

  5,5-Diamino-substituted-1,4,2-oxathiazoline derivatives 3 as potential prodrugs, which were easily prepared from hydroximoyl chlorides 1 and the appropriate thiourea derivatives 2, were decomposed instantaneously into isothiocyanates 4 and the corresponding urea derivatives 5 irrespective of the substituents.
• SONNENSCHEIN, HELMUT;SCHMITZ, ERNST, SYNTHESIS (BRD),(1989) N, C. 443-444
  作者：SONNENSCHEIN, HELMUT、SCHMITZ, ERNST

  DOI：——

  日期：——
• Synthesis of 1,2,3,5-oxathiadiazole 2-oxides from amidoximes and thionyl chloride and the mechanism of their thermally induced fragmentation and rearrangement to carbodiimides
  作者：Alessandro Dondoni、Gaetano Barbaro、Arturo Battaglia

  DOI：10.1021/jo00441a011

  日期：1977.10