N-benzyl-S-ethylisothiourea | 101435-88-5

• 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: N-benzyl-S-ethylisothiourea
• 英文别名: S-Aethyl-N-benzyl-isothioharnstoff；ethyl N'-benzylcarbamimidothioate
• CAS: 101435-88-5
• 化学式: C₁₀H₁₄N₂S
• mdl: MFCD24388457
• 分子量: 194.301
• InChiKey: MXQYDIOBNHYLMK-UHFFFAOYSA-N

物化性质

• 沸点：
  296.4±33.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 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：
  63.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苄胺 在 sodium hydroxide 、 三氟甲磺酸三甲基硅酯 作用下， 以 硫氰酸乙酯 为溶剂， 以100%的产率得到N-benzyl-S-ethylisothiourea
  参考文献：
  名称：

  Process for the production of nitrogen compounds

  摘要：

  一种合成方法，包括在硅烷化剂存在下，将含NH基团的化合物与硫氰酸盐、氰胺、亚硝酸盐或酯反应，以合成相应的含氮加成或取代产物。该方法不仅能够直接高效地合成包括异硫脲、胍胺、胍甲胺和酰胺在内的含氮化合物，而且具有广泛的应用范围，适用于大规模合成。

  公开号：

  US20030158442A1

文献信息

• Method for preparing nitrogen-containing compounds
  申请人：Emura Takashi

  公开号：US20050043569A1

  公开（公告）日：2005-02-24

  A synthesis method which comprises reacting NH group-containing compounds with thiocyanates, cyanamides, nitrites or esters in the presence of a silylating agent to synthesize the corresponding nitrogen-containing addition or substitution products. This method not only enables the direct and efficient synthesis of nitrogen-containing compounds including isothioureas, guanidines, amidines and amides, but it also has a wide range of applications and is suitable for large-scale synthesis.

  一种合成方法，包括在硅烷化剂存在下，将NH基团含有的化合物与硫氰酸盐、氰胺、亚硝酸盐或酯反应，以合成相应的含氮加成或取代产物。该方法不仅能够直接高效地合成包括异硫脲、胍、酰胺和酰胺类化合物在内的含氮化合物，而且具有广泛的应用范围，适用于大规模合成。
• Method for preparing nitrogen containing compounds
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06803472B2

  公开（公告）日：2004-10-12

  A synthesis method which comprises reacting NH group-containing compounds with thiocyanates, cyanamides, nitrites or esters in the presence of a silylating agent to synthesize the corresponding nitrogen-containing addition or substitution products. This method not only enables the direct and efficient synthesis of nitrogen-containing compounds including isothioureas, guanidines, amidines and amides, but it also has a wide range of applications and is suitable for large-scale synthesis.

  该合成方法包括在硅基化剂的存在下，将含有NH基团的化合物与硫氰酸盐、氰胺、亚硝酸盐或酯反应，以合成相应的氮化加成或取代产物。该方法不仅能够直接高效地合成包括异硫脲、鸟氨酸、酰胺和酰胺类在内的氮化合物，而且具有广泛的应用范围，适用于大规模合成。
• PROCESS FOR THE PRODUCTION OF NITROGEN COMPOUNDS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1285909A1

  公开（公告）日：2003-02-26

  A synthesis method which comprises reacting NH group-containing compounds with thiocyanates, cyanamides, nitriles or esters in the presence of a silylating agent to synthesize the corresponding nitrogen-containing addition or substitution products. This method not only enables the direct and efficient synthesis of nitrogen-containing compounds including isothioureas, guanidines, amidines and amides, but it also has a wide range of applications and is suitable for large-scale synthesis.

  一种合成方法，包括在硅烷化剂存在下使含 NH 基团的化合物与硫氰酸盐、氰胺、腈或酯反应，以合成相应的含氮加成或取代产物。 这种方法不仅能直接有效地合成含氮化合物，包括异硫脲类、胍类、脒类和酰胺类，而且应用广泛，适合大规模合成。
• Isothiuronium, Alkylthioöxazolinium, and Alkylthiothiazolinium Picrates¹
  作者：LOUIS LONG、RICHARD C. CLAPP、FRANK H. BISSETT、TORSTEN HASSELSTROM

  DOI：10.1021/jo01060a020

  日期：1961.1
• AMINODIHYDROTHIAZINE DERIVATIVES
  申请人：Shionogi & Co., Ltd.

  公开号：US20130158260A1

  公开（公告）日：2013-06-20

  A composition having BACE 1 inhibitory activity containing a compound represented by the general formula (I): wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; E is lower alkylene; X is S, O, or NR′; R 1 is a hydrogen atom or lower alkyl; R 2a , R 2b , R 3a , R 3b , R 4a and R 4b is each independently a hydrogen atom, halogen, or hydroxy etc.; n and m are each independently an integer of 0 to 3; n+m is an integer of 0 to 3; R 5 is a hydrogen atom or substituted lower alkyl; its pharmaceutically acceptable salt, or a solvate thereof.