2-(2,5-Dimethyl-2,3-dihydro-[1,3,4]thiadiazol-2-ylmethyl)-5-methyl-[1,3,4]thiadiazole | 85730-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2-(2,5-Dimethyl-2,3-dihydro-[1,3,4]thiadiazol-2-ylmethyl)-5-methyl-[1,3,4]thiadiazole
• 英文别名: 2-[(2,5-dimethyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-1,3,4-thiadiazole
• CAS: 85730-45-6
• 化学式: C₈H₁₂N₄S₂
• 分子量: 228.342
• InChiKey: OKTQAWLRNXPQKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,5-二甲基噻二唑 以13%的产率得到
  参考文献：
  名称：

  SAITO, TOSHINORI;SAHEKI, NORIO;HATANAKA, MINORU;ISHIMARU, TOSHIYASU, J. HETEROCYCL. CHEM., 1983, 20, N 1, 73-75

  摘要：

  DOI：

文献信息

• Synthesis of 1,3,4-thiadiazol-2-ylacetic acid derivatives
  作者：Toshinori Saito、Norio Saheki、Minoru Hatanaka、Toshiyasu Ishimaru

  DOI：10.1002/jhet.5570200117

  日期：1983.1

  1,3,4-Thiadiazol-2-ylacetic acids 4 were prepared by lithiation of 2-methyl-1,3,4-thiadiazoles 1, followed by treatment with carbon dioxide. Diethyl 1,3,4-thiadiazol-2-ylmalonates 6 were prepared by nucleophilic displacement reaction of the corresponding bromides 5 with diethyl malonate. Introduction of the amino group at the a-position of 4 or 6 was carried out via oximation or bromination to give

  通过将2-甲基-1,3,4-噻二唑1锂化来制备1,3,4-噻二唑-2-基乙酸4，然后用二氧化碳处理。二乙基-1,3,4-噻二唑-2- ylmalonates 6分别用对应的溴化物的亲核置换反应制备5与丙二酸二乙酯。通过肟化或溴化将氨基引入4或6位，得到氨基酯9或4。尝试从9或4制备DL-α-氨基-1,3,4-噻二唑-2-基乙酸 不能成功，因为氨基酸脱羧太快而不能以游离形式分离。
• KANTLEHNER, WILLI VON;HAUG, ERWIN;KINZY, WILLY;HAGEN, HELMUT, CHEM.-ZTG., 113,(1989) N, C. 217-219
  作者：KANTLEHNER, WILLI VON、HAUG, ERWIN、KINZY, WILLY、HAGEN, HELMUT

  DOI：——

  日期：——
• [EN] ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES
  申请人：F2G LTD

  公开号：WO2005092304A2

  公开（公告）日：2005-10-06

  Compounds of formula (I), and pharmaceutically acceptable salts thereof, may be used in therapy, for example as antifungal agents, wherein: R1, R2 and R3 are as defined herein. Certain compounds of formula (I) are also provided. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.
• SAITO, TOSHINORI;SAHEKI, NORIO;HATANAKA, MINORU;ISHIMARU, TOSHIYASU, J. HETEROCYCL. CHEM., 1983, 20, N 1, 73-75
  作者：SAITO, TOSHINORI、SAHEKI, NORIO、HATANAKA, MINORU、ISHIMARU, TOSHIYASU

  DOI：——

  日期：——