S-methyl O-benzyl carbonothioate | 22426-83-1

• 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: S-methyl O-benzyl carbonothioate
• 英文别名: benzyl methylsulfanylformate
• CAS: 22426-83-1
• 化学式: C₉H₁₀O₂S
• 分子量: 182.243
• InChiKey: CWDWQKQVRYEDGR-UHFFFAOYSA-N

物化性质

• 沸点：
  96 °C(Press: 2 Torr)
• 密度：
  1.166±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-methyl O-benzyl carbonothioate 在 磺酰氯 作用下， 反应 1.0h， 以72%的产率得到氯甲酸苄酯
  参考文献：
  名称：

  使用一氧化碳作为羰基来源合成氯甲酸苄酯（CbzCl）

  摘要：

  建立了一种新的非光气合成氯甲酸苄酯（CbzCl）的方法。通过在DBU（1,8-二氮杂双环[5.4.0]十一烷基-7-烯）存在下用一氧化碳和硫（或羰基硫）对苯甲醇进行羰基化反应，制得S-甲基O-苄基羰基硫代酸酯。使用碘甲烷收率好。然后，通过使用磺酰氯对S-甲基O-苄基硫代碳酸盐进行氯化，成功地合成了CbzCl衍生物，收率很高。

  DOI：

  10.1016/s0040-4020(02)01331-5
• 作为产物：
  描述：

  苯甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 17.0h， 生成 S-methyl O-benzyl carbonothioate
  参考文献：
  名称：

  氯甲酸苄酯（CbzCl）的非光气合成

  摘要：

  建立了以一氧化碳或羰基硫为羰基来源的氯甲酸苄酯（CbzCl）合成方法。S-甲基O-苄基硫代碳酸盐的硫酰氯氯化法成功地合成了氯甲酸苄酯，其是通过在DBU（1,8-二氮杂双环）存在下，将苄醇与一氧化碳和硫（或羰基硫）进行羰基化反应制得的。 [5.4.0]十一碳-7-烯），然后使用甲基碘进行酯化。

  DOI：

  10.1016/s0040-4039(02)01834-8

文献信息

• [EN] IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE PRÉSENTANT DES PROPRIÉTÉS ANTAGONISTES DU A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2019118313A1

  公开（公告）日：2019-06-20

  Disclosed are compounds having the structure of Formula I, or a pharmaceutically acceptable salt of any thereof: wherein: "Z" and R1 are defined herein, which compounds are believed suitable for use in selectively antagonizing the A2a receptors, for example, those found in high density in the basal ganglia. Such compounds and pharmaceutical formulations are believed to be useful in treatment or management of neurodegenerative diseases, for example, Parkinson's disease, or movement disorders arising from use of certain medications used in the treatment or management of Parkinson's disease.

  本文披露了具有Formula I结构的化合物，或者其任何药学上可接受的盐：其中：“Z”和R1在此有定义，这些化合物被认为适用于选择性拮抗A2a受体，例如，在基底神经节中高密度发现的受体。据信，这些化合物和药物配方在治疗或管理神经退行性疾病，例如帕金森病，或由于使用治疗或管理帕金森病的某些药物而引起的运动障碍方面是有用的。
• ULTRA-VIOLET CURABLE ADHESIVE
  申请人：Brizius Glen Leon

  公开号：US20140174650A1

  公开（公告）日：2014-06-26

  An adhesive may be formulated with a functional component that reacts in the presence of ultraviolet light with a neighboring functional component to form a nonreversible bond therebetween. The functional component may include at least one —C═C— functional group that is able to undergo dimerization with a neighboring component. A method for making the adhesive includes covalently bonding the functional component to a support polymer, wherein the functional component may be covalently bonded to the support polymer by a linking molecule. A kit containing the adhesive and an ultraviolet light source is also provided.

  一种粘合剂可以配制有功能组分，在紫外光的存在下与邻近的功能组分反应，形成不可逆的键合。功能组分可以包括至少一个能够与邻近组分发生二聚化的—C═C—功能基团。制备粘合剂的方法包括将功能组分共价键合到支撑聚合物上，其中功能组分可以通过连接分子与支撑聚合物共价键合。还提供了一个包含粘合剂和紫外光源的工具箱。
• FOLATE CONJUGATES FOR TREATING INFLAMMATION OF THE EYE
  申请人：Leamon Christopher Paul

  公开号：US20130203680A1

  公开（公告）日：2013-08-08

  The present invention relates to methods of use of folate conjugates for treating inflammatory diseases of the eye, to folate conjugates for use in treating inflammatory diseases of the eye, and to folate conjugates for use in the manufacture of a medicament for treating inflammatory diseases of the eye. More particularly, the invention is directed to the use of folate linked to one or more anti-inflammatory agents for each of the above-described uses.

  本发明涉及使用叶酸共轭物治疗眼部炎症疾病的方法，用于治疗眼部炎症疾病的叶酸共轭物，以及用于制造用于治疗眼部炎症疾病的药物的叶酸共轭物。更具体地，本发明针对上述用途中的每一种，使用叶酸与一个或多个抗炎药物相连的方法。
• Ultra-violet curable adhesive
  申请人：Brizius Glen Leon

  公开号：US09120958B2

  公开（公告）日：2015-09-01

  An adhesive may be formulated with a functional component that reacts in the presence of ultraviolet light with a neighboring functional component to form a nonreversible bond therebetween. The functional component may include at least one —C═C— functional group that is able to undergo dimerization with a neighboring component. A method for making the adhesive includes covalently bonding the functional component to a support polymer, wherein the functional component may be covalently bonded to the support polymer by a linking molecule. A kit containing the adhesive and an ultraviolet light source is also provided.

  一种粘合剂可以配制成含有功能组分，该功能组分在紫外光的存在下与相邻的功能组分反应，形成彼此之间的不可逆结合。该功能组分可以包括至少一个可与相邻组分发生二聚化反应的—C═C—功能基团。制备该粘合剂的方法包括将功能组分共价键结合到支撑聚合物上，其中功能组分可以通过连接分子与支撑聚合物共价键结合。还提供了包含粘合剂和紫外光源的套件。
• Solvent-assisted thiocarboxylation of amines and alcohols with carbon monoxide and sulfur under mild conditions
  作者：Takumi Mizuno、Toshiyuki Iwai、Yoshio Ishino

  DOI：10.1016/j.tet.2005.06.114

  日期：2005.9

  DMSO or DMF as a solvent strongly accelerated the thiocarboxylation of amines and alcohols with carbon monoxide and sulfur. Under mild conditions (1 atm, 20 degrees C), this thiocarboxylation of amines assisted by DMSO with carbon monoxide and sulfur has been developed into a practical and convenient synthetic method for S-alkyl thiocarbamates in good to excellent yields, including EPTC, thiobencarb, orbercarb, and molinate (herbicides). DMF also showed the similar solvent effect. NMP slightly decreased the effect for the thiocarboxylation of amines, and the yield of S-alkyl thiocarbamate was lowered in DMAc. Surprisingly, no formation of S-alkyl thiocarbamate was observed at the use of the other solvents, such as THF, hexane, toluene, AcOEt, MeCN, MeOH, and H2O. The present solvent-assisted thiocarboxylation with carbon monoxide and sulfur could be also applied to a new synthesis of S-alkyl O-alkyl carbonothioates from alcohols under mild conditions (1 atm, 20 degrees C) in DMF using DBU (1,8-diazabicyclo[5.4.0]undec-7-ene). (c) 2005 Elsevier Ltd. All rights reserved.