4-(propylthio)benzaldehyde | 84264-98-2

• 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: 4-(propylthio)benzaldehyde
• 英文别名: 4-propylsulfanyl-benzaldehyde；4-Propylmercapto-benzaldehyd；4-(n-Propylthio)benzaldehyde；4-propylsulfanylbenzaldehyde
• CAS: 84264-98-2
• 化学式: C₁₀H₁₂OS
• 分子量: 180.271
• InChiKey: IPFHCLSMBLTWFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(propylthio)benzaldehyde 在 双氧水 、 溶剂黄146 作用下， 生成 4-(propane-1-sulfonyl)-benzaldehyde
  参考文献：
  名称：

  Primary leiomyosarcoma of the heart subsequent to double carcinomas of the thyroid and lung

  摘要：

  A 63-year-old woman underwent surgical operations for left lower lung cancer and for thyroid cancer. Nine months later, a third cancer developed in her heart and this tumor was removed by open heart surgery. A pathologic study revealed that the tumor was primary leiomyosarcoma of the heart and thus independent from the previous lung and thyroid carcinomas. This case was regarded as a triple carcinoma including a primary leiomyosarcoma arising from the left atrium. Reports in the literature on primary malignant tumors of the heart are reviewed briefly.

  DOI：

  10.1007/pl00007262
• 作为产物：
  描述：

  1-碘代丙烷 、 对溴苯甲醛 在 copper(ll) sulfate pentahydrate 、 caesium carbonate 作用下， 以 二甲基亚砜 、 乙硫醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以83%的产率得到4-(propylthio)benzaldehyde
  参考文献：
  名称：

  开发用于对映选择性亚砜还原酶的定向进化的简单高通量测定法。

  摘要：

  我们报告了可以简化对映选择性亚砜还原酶的定向进化的高通量荧光检测的发展。作为模型，蛋氨酸亚砜还原酶A（MsrA）已得到发展，以扩大其有限的底物范围。所得的突变体MsrA可以高效分离一系列新的具有挑战性的外消旋亚砜，包括药学上相关的阿苯达唑亚砜。简便性和通量水平使该方法也适合将来筛选宏基因组文库，以发现具有类似反应性的新酶。

  DOI：

  10.1039/d0cc01660h

文献信息

• Processes for producing 2-substituted benzo(beta)thiophene
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP0572712A2

  公开（公告）日：1993-12-08

  A 2-alkylthiobenzaldehyde of general formula (I) is reacted with a halo compound of general formula (II) to produce a 2-substituted benzo[b]thiophene of general formula (III). wherein R1 means an alkyl group of 1 to 4 carbon atoms. wherein X1 means Cl or Br; Y means -CO2 H, -CO2R2, -COR2, -CONH2 or -CN; R2 means an alkyl group of 1 to 4 carbon atoms. wherein Y is as defined above. The process of this invention is of great economic and industrial value, for 2-acetylbenzo[b]thiophene and 2-benzo[b]thiophenecarboxylic acid, which are important intermediates for drugs and agricultural chemicals among others, can be obtained in a simple manner, easily and in high yield.

  通式(I)的 2-烷基硫代苯甲醛与通式(II)的卤代化合物反应生成通式(III)的 2-取代苯并[b]噻吩。 其中 R1 指 1 至 4 个碳原子的烷基。 其中 X1 指 Cl 或 Br；Y 指 -CO2 H、-CO2R2、-COR2、-CONH2 或 -CN；R2 指 1 至 4 个碳原子的烷基。 其中 Y 如上定义。 本发明的工艺具有极大的经济和工业价值，因为 2-乙酰基苯并[b]噻吩和 2-苯并[b]噻吩羧酸是药物和农药等的重要中间体，可以通过简单的方法轻松高产地获得。
• US4345072A
  申请人：——

  公开号：US4345072A

  公开（公告）日：1982-08-17
• US5298630A
  申请人：——

  公开号：US5298630A

  公开（公告）日：1994-03-29
• Primary leiomyosarcoma of the heart subsequent to double carcinomas of the thyroid and lung
  作者：M. Fukuoka、Makoto Hagiwara、Shinya Shimoshige、Akifumi Hirata、Takeo Adachi、Hiroaki Komura、Tetsuro Shoji、Tsuyoshi Kikuiri、Katsuya Ikeda、Nozomu Kimura、Yasunori Fujisawa

  DOI：10.1007/pl00007262

  日期：2000.3

  A 63-year-old woman underwent surgical operations for left lower lung cancer and for thyroid cancer. Nine months later, a third cancer developed in her heart and this tumor was removed by open heart surgery. A pathologic study revealed that the tumor was primary leiomyosarcoma of the heart and thus independent from the previous lung and thyroid carcinomas. This case was regarded as a triple carcinoma including a primary leiomyosarcoma arising from the left atrium. Reports in the literature on primary malignant tumors of the heart are reviewed briefly.
• Development of a simple high-throughput assay for directed evolution of enantioselective sulfoxide reductases
  作者：Vincenzo Tarallo、Kasireddy Sudarshan、Vladimír Nosek、Jiří Míšek

  DOI：10.1039/d0cc01660h

  日期：——

  We report on the development of high-throughput fluorogenic assay that can streamline directed evolution of enantioselective sulfoxide reductases. As a model, methionine sulfoxide reductase A (MsrA) has been evolved to expand its limited substrate scope. The resulting mutant MsrA can resolve a range of new challenging racemic sulfoxides with high efficiency including the pharmaceutically relevant albendazole

  我们报告了可以简化对映选择性亚砜还原酶的定向进化的高通量荧光检测的发展。作为模型，蛋氨酸亚砜还原酶A（MsrA）已得到发展，以扩大其有限的底物范围。所得的突变体MsrA可以高效分离一系列新的具有挑战性的外消旋亚砜，包括药学上相关的阿苯达唑亚砜。简便性和通量水平使该方法也适合将来筛选宏基因组文库，以发现具有类似反应性的新酶。