3,5-bistolyl-4-methyl-1,2,4,6-thiatriazine 1,1-dioxide | 91257-21-5

• 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: 3,5-bistolyl-4-methyl-1,2,4,6-thiatriazine 1,1-dioxide
• 英文别名: 4-Methyl-3,5-di(4-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide；4-methyl-3,5-bis(4-methylphenoxy)-1,2,4,6-thiatriazine-1,1-dioxide；4-Methyl-3,5-bis(4-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
• CAS: 91257-21-5
• 化学式: C₁₇H₁₇N₃O₄S
• 分子量: 359.406
• InChiKey: UMADWUIDBAFLKI-UHFFFAOYSA-N

物化性质

• 熔点：
  291 °C(Solv: ethanol (64-17-5))
• 沸点：
  475.3±48.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,5-bistolyl-4-methyl-1,2,4,6-thiatriazine 1,1-dioxide 在 氨 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以98%的产率得到4-Methyl-1,1-dioxo-1,4-dihydro-1λ⁶-[1,2,4,6]thiatriazine-3,5-diamine
  参考文献：
  名称：

  Preparation of 4-Substituted 3,5-Diaryloxy and 3,5-Diamino-1,2,4,6-Thiatriazine 1,1-Dioxides

  摘要：

  本文介绍了一种技术简单的 4-取代型 1,2,4,6-thiatriazine-1,1-dioxides 新合成方法，可轻松制备出该环系统的多种新衍生物。

  DOI：

  10.1055/s-1987-27876
• 作为产物：
  描述：

  N,N'-bissulfurous diamide 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 17.0h， 生成 3,5-bistolyl-4-methyl-1,2,4,6-thiatriazine 1,1-dioxide
  参考文献：
  名称：

  Preparation of 4-Substituted 3,5-Diaryloxy and 3,5-Diamino-1,2,4,6-Thiatriazine 1,1-Dioxides

  摘要：

  本文介绍了一种技术简单的 4-取代型 1,2,4,6-thiatriazine-1,1-dioxides 新合成方法，可轻松制备出该环系统的多种新衍生物。

  DOI：

  10.1055/s-1987-27876

文献信息

• 3- And 5-(bicyclic ether or bicyclic alkylene thioether)alkylene amino
  申请人：Rorer Pharmaceutical Corporation

  公开号：US04704388A1

  公开（公告）日：1987-11-03

  A class of 3- and 5-amino thiatriazine compounds exhibiting pharmacological activity, including gastrointestinal anti-ulcerogenic and cytoprotective activity, pharmaceutical compositions comprising these compounds, and methods for the treatment of gastrointestinal hyperacidity and ulcerogenic disorders in mammals using said compositions.

  一类3-和5-氨基噻嗪类化合物，表现出药理活性，包括胃肠抗溃疡和细胞保护活性，含有这些化合物的药物组合物，以及使用这些组合物治疗哺乳动物胃肠过酸和溃疡性疾病的方法。
• Thiatriazine derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0104611A2

  公开（公告）日：1984-04-04

  New thiatriazine derivatives of the general formula are described as well as a process for their manufacture. The new compounds exhibit histamine H-2 antagonist activity and may be used to inhibit gastric acid secretion and to treat gastric and peptic ulcers.

  描述了通式为 及其生产工艺。新化合物具有组胺 H-2 拮抗剂活性，可用于抑制胃酸分泌和治疗胃溃疡和消化性溃疡。
• Thiatrizine derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0156286A2

  公开（公告）日：1985-10-02

  Salts of 3-amino-5-[2-[ (2-guanidino-4-thiazolyl) -methylthio] ethylamino] -4-methyl-1,2,4,6-thiatriazine-1, 1-dioxide with various acids are prepared in crystalline form. The salts contain varying amounts of crystal water or crystal solvent.

  3-氨基-5-[2-[（2-胍基-4-噻唑基）-甲硫基]乙氨基]-4-甲基-1,2,4,6-噻三嗪-1,1-二氧化物与各种酸的盐以结晶形式制备。 这些盐含有不同量的结晶水或结晶溶剂。
• 4-Substituted-1,2,4,6-thiatriazine derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0170118A2

  公开（公告）日：1986-02-05

  A process for the production of a compound of formula in which R represents an aryl group, especially a phenyl group, which may be unsubstituted or substituted by one or two substituents, which may be the same or different, selected from methyl, trifluoromethyl, nitro and cyano groups, and chlorine, fluorine and bromine atoms; R1 represents a hydrogen atom, a straight or branched chain alkyl group having from 1 to 6 carbon atoms or a cycloalkyl group having from 3 to 7 carbon atoms, which alkyl or cycloalkyl group is unsubstituted or substituted, or R1 represents a straight or branched chain alkenyl group having from 2 to 6 carbon atoms or a straight or branched chain alkynyl group having from 3 to 6 carbon atoms; R represents an aryloxy group, especially a phenoxy group, which is unsubstituted or is substituted as defined above for aryl groups R; or R2 represents an -NHR3 group in which R3 represents a hydrogen atom or a straight or branched chain alkyl group having from 1 to 6 carbon atoms that is unsubstituted or substituted, or an aromatic or non-aromatic heterocyclic group as defined above; or R2 represents a group NHR3, and R1 and R3, together with the atoms to which they are attached, form a 5- or 6-membered ring containing two nitrogen atoms, and p represents the integer 1 or 2, which comprises (a) reacting a compound of formula II in which R and p are as defined above, with an amine of formula III in which R1 is as defined above and, if desired, (b) reacting a resulting compound of formula I in which R2 represents an optionally substituted aryloxy group with an amine of formula IV in which R3 is as defined above, to give a compound of formula I in which R2 represents group NHR3; or (c) reacting a compound of formula II as defined above with a diamine of formula V in which n represents 2 or 3 to give a compound of formula I in which R2 represents a group NHR3, and R1 and R3, together with the atoms to which they are attached, form a 5- or 6-membered ring containing two nitrogen atoms and, if desired, at any stage, (d) oxidising a resulting compound of formula I in which p represents the integer 1 to give the corresponding compound in which p represents the integer 2. The compounds of formula I are useful in the manufacture of 5-substituted 1, 2, 4, 6-thiatriazines.

  一种生产式化合物的工艺 其中 R 代表芳基，特别是苯基，可以未被取代或被一个或两个取代基取代，这些取代基可以相同或不同，选自甲基、三氟甲基、硝基和氰基以及氯、氟和溴原子； R1 代表氢原子、具有 1 至 6 个碳原子的直链或支链烷基或具有 3 至 7 个碳原子的环烷基，该烷基或环烷基是未取代的或取代的，或 R1 代表具有 2 至 6 个碳原子的直链或支链烯基，或具有 3 至 6 个碳原子的直链或支链炔基； R 代表芳氧基基团，特别是苯氧基基团，该基团未被取代或被如上定义的芳基基团 R 所取代；或 R2 代表-NHR3 基团，其中 R3 代表氢原子或具有 1-6 个碳原子的未取代或被取代的直 链或支链烷基，或如上所定义的芳香族或非芳香族杂环基团；或 R2 代表基团 NHR3，且 R1 和 R3 与它们所连接的原子一起形成含有两个氮原子的 5 或 6 元环，且 p 代表整数 1 或 2，其中包括 (a) 使式 II 的化合物反应 其中 R 和 p 如上定义，与式 III 的胺反应 其中 R1 如上文所定义，如果需要，(b) 将得到的式 I 化合物（其中 R2 代表任选取代的芳氧基）与式 IV 的胺反应 其中 R3 如上文所定义，从而得到 R2 代表 NHR3 基团的式 I 化合物；或 (c) 将上文所定义的式 II 化合物与式 V 二胺反应 其中 n 代表 2 或 3，以得到式 I 化合物，其中 R2 代表基团 NHR3，且 R1 和 R3 与它们所连接的原子一起形成含有两个氮原子的 5 或 6 元环，如果需要，在任何阶段，(d) 氧化得到的式 I 化合物，其中 p 代表整数 1，以得到相应的式 I 化合物，其中 p 代表整数 2。 式 I 化合物可用于制造 5-取代的 1，2，4，6-噻三嗪。
• [1,4]Benzodioxin and [1,4]benzoxazine derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0204148A2

  公开（公告）日：1986-12-10

  A compound of formula I in which formula R1 and R2, which may be the same or different, each represents a hydrogen atom, an alkyl group having from 1 to 4 carbon atoms or, together with the nitrogen atom to which they are attached, R1 and R2 form a 4 to 8-membered ring which may contain an oxygen atom or another nitrogen atom, which nitrogen atom may have an alkyl group having from 1 to 4 carbon atoms as substituent. X represents an oxygen atom or a group NR4 in which R4 represents a hydrogen atom, an alkyl group having from 1 to 4 carbon atoms, a phenyl group or a phenalkyl group, the alkyl moiety of which has from 1 to 4 carbon atoms. an alkyl, phenyl or phenalkyl group being unsubstituted or substituted, or R4 represents a nitrogen protecting group; m represents an integer of from 1 to 4; n represents the integer 1 or 2; and R3 represents a group of formula II, III, IV, V or VI in which formulae R5 represents a hydrogen atom or an alkyl group having from 1 to 4 carbon atoms; and R6 represents a hydrogen atom or an alkyl group having from 1 to 4 carbon atoms, an alkenyl group having from 2 to 4 carbon atoms, or an alkynyl group having 3 or 4 carbon atoms has histamine H-2 antagonist activity, and may be used to produce medicaments.

  一种式 I 的化合物 其中式 R1和R2（可以相同或不同）各自代表一个氢原子、一个具有 1 至 4 个碳原子的烷基，或者，R1和R2与它们所连接的氮原子一起形成一个 4 至 8 元环，该环可以包含一个氧原子或另一个氮原子，该氮原子可以具有一个具有 1 至 4 个碳原子的烷基作为取代基。 X 代表氧原子或基团 NR4，其中 R4 代表氢原子、具有 1 至 4 个碳原子的烷基、苯基或 苯烷基，其烷基具有 1 至 4 个碳原子。 未取代或取代的烷基、苯基或苯烷基，或 R4 代表氮保护基团； m 代表 1 至 4 的整数； n 代表 1 或 2 的整数；以及 R3 代表式 II、III、IV、V 或 VI 的基团 在这些式中 R5 代表氢原子或具有 1 至 4 个碳原子的烷基；以及 R6 代表氢原子或具有 1 至 4 个碳原子的烷基、具有 2 至 4 个碳原子的烯基或具有 3 或 4 个碳原子的炔基具有组胺 H-2 拮抗剂活性，可用于生产药物。