2,2'-m-phenylene-bis-<5-(bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole>

• 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: 2,2'-m-phenylene-bis-<5-(bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole>
• 英文别名: 2,2'-m-phenylene-bis-[5-(bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
• 化学式: C₁₆H₁₈Br₂N₆S₂
• 分子量: 518.299
• InChiKey: CHYHWAMJXXGDNO-IKBKFCNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  60.36
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,2'-m-phenylene-bis-<5-(bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole> 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以76%的产率得到2,2'-m-phenylene-bis-<5-(2-azidoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole>
  参考文献：
  名称：

  Preparation of a Novel Type of Ligands Incorporating Two or Three 1,3,4-Thiadiazole Units

  摘要：

  The 1,3,4-thiadiazole annelation based on the reaction of acyl chlorides with methyl 2-methyldithiocarbazate followed by cyclization with perchloric acid and further reaction with primary amines, allows the preparation of a novel kind of ligands bearing two or three 1,3,4-thiadiazole rings connected either by an aliphatic, aromatic or heteroaromatic bridge.

  DOI：

  10.3987/com-92-6275
• 作为产物：
  描述：

  dimethyl 3,3'-isophthaloyl-bis-(2-methyldithiocarbazate) 在 高氯酸 、 乙酸酐 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 54.0h， 生成 2,2'-m-phenylene-bis-<5-(bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole>
  参考文献：
  名称：

  Preparation of a Novel Type of Ligands Incorporating Two or Three 1,3,4-Thiadiazole Units

  摘要：

  The 1,3,4-thiadiazole annelation based on the reaction of acyl chlorides with methyl 2-methyldithiocarbazate followed by cyclization with perchloric acid and further reaction with primary amines, allows the preparation of a novel kind of ligands bearing two or three 1,3,4-thiadiazole rings connected either by an aliphatic, aromatic or heteroaromatic bridge.

  DOI：

  10.3987/com-92-6275

文献信息

• Preparation of a Novel Type of Ligands Incorporating Two or Three 1,3,4-Thiadiazole Units
  作者：Pedro Molina、Alberto T�raga、Isidora D誕z、Arturo Espinosa、Carmen Gaspar

  DOI：10.3987/com-92-6275

  日期：——

  The 1,3,4-thiadiazole annelation based on the reaction of acyl chlorides with methyl 2-methyldithiocarbazate followed by cyclization with perchloric acid and further reaction with primary amines, allows the preparation of a novel kind of ligands bearing two or three 1,3,4-thiadiazole rings connected either by an aliphatic, aromatic or heteroaromatic bridge.