methyl 2-(benzo[d]thiazol-2-ylamino)-2-oxoacetate | 104388-84-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(benzo[d]thiazol-2-ylamino)-2-oxoacetate
• 英文别名: Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester；methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
• CAS: 104388-84-3
• 化学式: C₁₀H₈N₂O₃S
• 分子量: 236.251
• InChiKey: FWIIRZSCJJVCDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  丁炔二酸二叔丁酯 乙炔二羧酸二叔丁酯 、 methyl 2-(benzo[d]thiazol-2-ylamino)-2-oxoacetate 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到di-tert-butyl 1-(1,3-benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarboxylate
  参考文献：
  名称：

  Synthesis of Novel 1-(Benzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-ones

  摘要：

  The titled products comprising of two mutually merged bioactive nucleuses, 2‐aminobenzo[d]thiazole and 2,5‐dihydropyrrole rings, were obtained from the reaction between dialkyl acetylenedicarboxylates and alkyl 2‐(benzo[d]thiazol‐2‐yl)amino‐2‐oxoacetates in the presence of triphenylphosphine at RT.

  DOI：

  10.1002/jhet.1885
• 作为产物：
  描述：

  甲基戊酰氯 、 2-氨基苯并噻唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.17h， 生成 methyl 2-(benzo[d]thiazol-2-ylamino)-2-oxoacetate
  参考文献：
  名称：

  Synthesis of Novel 1-(Benzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-ones

  摘要：

  The titled products comprising of two mutually merged bioactive nucleuses, 2‐aminobenzo[d]thiazole and 2,5‐dihydropyrrole rings, were obtained from the reaction between dialkyl acetylenedicarboxylates and alkyl 2‐(benzo[d]thiazol‐2‐yl)amino‐2‐oxoacetates in the presence of triphenylphosphine at RT.

  DOI：

  10.1002/jhet.1885

文献信息

• Three-component [3+2+1] cyclizations leading to densely functionalized benzo[4,5]thiazolo[1,2- a ]pyrimidines
  作者：Ming Bao、Bo Jiang、Haiying Wang、Liang Li

  DOI：10.1016/j.tet.2015.12.075

  日期：2016.2

  A facile method has been developed for the preparation of densely functionalized tricyclic fused pyrimidine derivatives by three-component [3+2+1] cyclization. Fairly good yields of the products (up to 88%), the ready availability of the low-cost starting materials, the catalyst-free and mild conditions are the main advantages of this method.

  已经开发了一种通过三组分[3 + 2 + 1]环化来制备致密官能化的三环稠合嘧啶衍生物的简便方法。该方法的主要优点是产品的收率相当好（高达88％），低成本原料的现成可获得性，无催化剂和温和的条件。
• Synthesis of Novel 1-(Benzo[<i>d</i>]thiazol-2-yl)-1<i>H</i>-pyrrol-2(5<i>H</i>)-ones
  作者：Kurosh Rad-Moghadam、Abbas Ali Esmaeili、Saeid Amini Ghalandarabad、Fereshteh Hoseininejad、Seyyed Adel Fallah-Rasoulinejad、Samaneh Kiani

  DOI：10.1002/jhet.1885

  日期：2014.11

  The titled products comprising of two mutually merged bioactive nucleuses, 2‐aminobenzo[d]thiazole and 2,5‐dihydropyrrole rings, were obtained from the reaction between dialkyl acetylenedicarboxylates and alkyl 2‐(benzo[d]thiazol‐2‐yl)amino‐2‐oxoacetates in the presence of triphenylphosphine at RT.