甲基3-甲酰氨基-4-甲基-2-噻吩羧酸酯 | 443762-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 甲基3-甲酰氨基-4-甲基-2-噻吩羧酸酯
• 英文名称: methyl 3-formamido-4-methylthiophene-2-carboxylate
• 英文别名: 3-(Formylamino)-4-methyl-2-thiophenecarboxylic acid methyl ester
• CAS: 443762-03-6
• 化学式: C₈H₉NO₃S
• 分子量: 199.23
• InChiKey: PWSUQEJRFKOGJV-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C
• 沸点：
  405.9±45.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基3-甲酰氨基-4-甲基-2-噻吩羧酸酯 在 ammonium formate 、 三氯氧磷 作用下， 以 formamide 为溶剂， 反应 21.5h， 生成 4-氯-7-甲基噻吩并[3,2-D]嘧啶
  参考文献：
  名称：

  [EN] MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  公开号：

  WO2012156756A3
• 作为产物：
  描述：

  甲酸 、 3-氨基-4-甲基噻吩-2-甲酸甲酯 反应 24.0h， 生成 甲基3-甲酰氨基-4-甲基-2-噻吩羧酸酯
  参考文献：
  名称：

  通过多组分反应进行局部麻醉

  摘要：

  全局思考，局部行动：目前的麻醉剂结构多样性有限，合成效率低下，毒性越来越大。因此，迫切需要具有改进的化学合成的新支架。在这里，我们报告了通过多组分反应化学在一步合成中获得商业和新型局部麻醉剂。我们评估了合成文库对小鼠海马脑切片自发活动的影响。

  DOI：

  10.1002/cmdc.202200246

文献信息

• Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors
  申请人：Thrash Thomas

  公开号：US20060004002A1

  公开（公告）日：2006-01-05

  Various thienopyrimidine-based analog compounds are able to selectively inhibit the Src family of tyrosine kinases. These compounds are useful in the treatment of various diseases including hyperproliferative diseases, hematologic diseases, osteoporosis, neurological diseases, autoimmune diseases, allergic/immunological diseases, or viral infections.

  各种噻吩并嘧啶类衍生物能够选择性地抑制Src家族的酪氨酸激酶。这些化合物在治疗包括过度增殖性疾病、血液病、骨质疏松症、神经性疾病、自身免疫病、过敏/免疫性疾病或病毒感染等多种疾病中是有用的。
• Thienopyrimidine-based inhibitors of the Src family
  申请人：Board of Regents, The University of Texas System

  公开号：US06503914B1

  公开（公告）日：2003-01-07

  Various thienopyrimidine-based analog compounds that selectively inhibit the Src family of tyrosine kinases. These compounds are thienopyrimidines and contain a hydrozone bridge created by heating a thienopyrimidine hydrazine with an aldehyde in ethanol at reflux. Such compounds are useful in the treatment of various diseases including hyperproliferative diseases, hematologic diseases, osteoporosis, neurological diseases, autoimmune diseases, allergic/immunological diseases, or viral infections.

  一些基于噻吩吡啶的类似化合物，能选择性地抑制Src家族的酪氨酸激酶。这些化合物是噻吩吡啶类化合物，含有一个由在乙醇中回流加热噻吩吡啶肼和醛制成的氢酮桥。这些化合物在治疗各种疾病中很有用，包括高增殖性疾病、血液学疾病、骨质疏松症、神经系统疾病、自身免疫疾病、过敏/免疫疾病或病毒感染。
• Thienopyrimidine-based inhibitors of the src family
  申请人：——

  公开号：US20040077663A1

  公开（公告）日：2004-04-22

  Various thienopyrimidine-based analog compounds are able to selectively inhibit the Src family of tyrosine kinases. These compounds are useful in the treatment of various diseases including hyperproliferative diseases, hematologic diseases, osteoporosis, neurological diseases, autoimmune diseases, allergic/immunological diseases, or viral infections.

  各种基于噻唑并嘧啶的类似化合物能够选择性地抑制Src家族的酪氨酸激酶。这些化合物在治疗各种疾病方面非常有用，包括增生性疾病、血液学疾病、骨质疏松症、神经系统疾病、自身免疫疾病、过敏/免疫疾病或病毒感染。
• An eco-benign and highly efficient procedure for N-acylation catalyzed by heteropolyanion-based ionic liquids using carboxylic acid under solvent-free conditions
  作者：Zhikai Chen、Renzhong Fu、Wen Chai、Hao Zheng、Lin Sun、Qiang Lu、Rongxin Yuan

  DOI：10.1016/j.tet.2014.02.042

  日期：2014.4

  An eco-benign and highly efficient route for N-acylation of amines has been developed by treating amines with corresponding carboxylic acids in the presence of 2 mol % of heteropolyanion-based ionic liquids as catalysts under solvent-free conditions. This practical reaction could tolerate a wide range of substrates. Thus, various N-acylation products including N-acyl alpha-amino acid derivatives were obtained in moderate to excellent yields at 70 degrees C to 120 degrees C. Moreover, recycling studies revealed that heteropolyanion-based ionic liquids were easily reusable for this N-acylation. This method provides a green and much improved protocol over the existing methods.(c) 2014 Elsevier Ltd. All rights reserved.
• USRE039267E1
  申请人：——

  公开号：——

  公开（公告）日：——