pyrimidin-2-yl thiolpropionate | 1469753-32-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: pyrimidin-2-yl thiolpropionate
• 英文别名: S-pyrimidin-2-yl propanethioate
• CAS: 1469753-32-9
• 化学式: C₇H₈N₂OS
• 分子量: 168.219
• InChiKey: AYDFHBAOXJUICL-UHFFFAOYSA-N

物化性质

• 沸点：
  317.1±25.0 °C(predicted)
• 密度：
  1.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙酸酐 、 2-巯基嘧啶 在 三乙胺 作用下， 以 乙腈 为溶剂， 以53%的产率得到pyrimidin-2-yl thiolpropionate
  参考文献：
  名称：

  2-Pyrimidine Thioesters and Thiocarbonates as Skin Brightening Agents

  摘要：

  2-嘧啶硫酯和硫代碳酸酯被披露为有效的皮肤美白剂。这些化合物可以与皮肤学上可接受的载体配制成皮肤美白组合物。还披露了使用这些剂来美白皮肤和抑制黑色素生成的方法。

  公开号：

  US20130273183A1

文献信息

• HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY
  申请人：ZENECA LIMITED

  公开号：EP0660827A1

  公开（公告）日：1995-07-05
• HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY
  申请人：ZENECA LIMITED

  公开号：EP0660827B1

  公开（公告）日：1997-04-16
• US5684011A
  申请人：——

  公开号：US5684011A

  公开（公告）日：1997-11-04
• [EN] HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY<br/>[FR] COMPOSES HETEROCYCLIQUES A ACTIVITE PARASITE
  申请人：ZENECA LIMITED

  公开号：WO1994006777A1

  公开（公告）日：1994-03-31

  (EN) The invention provides novel compounds of formula (I) having nematicidal, insecticidal, acaricidal and fungicidal properties, compositions comprising them and processes and intermediates for their preparation; wherein R1 is -S(O)nCH2CH2CH=CF2; n is selected from 0, 1 and 2; R2, R3, and R4 are independently selected from hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, alkylcycloalkyl, optionally substituted aryl, optionally substituted arylalkyl, optionally substituted aryloxy, optionally substituted arylalkoxy, alkoxy, alkenyloxy, alkynyloxy, hydroxyalkyl, alkoxyalkyl, alkylthio, alkenylthio, alkynylthio, haloalkyl, haloalkenyl, haloalkynyl, haloalkoxy, haloalkenyloxy, haloalkynyloxy, haloalkylthio, haloalkenylthio, haloalkynylthio, halogen, hydroxy, cyano, nitro, -NR5R6, -NR7COR8, -NR9SO2R10, -N(SO2-R11)(SO2-R12), -COR13, -CONR14R15, -COOR16, -OCOR17, -OSO2R18, -SO2NR19R20, -SO2R21, -SOR22, -CSNR23R24, -SiR25R26R27, -OCH2CO2R28, -OCH2CH2CO2R29, -CONR30SO2R31, -SO2Z, or an adjacent pair of R2, R3 and R4 when taken together form a fused 5- or 6-membered carbocyclic or heterocyclic ring; R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, R21, R22, R23, R24, R25, R26, R27, R28, R29, R30 and R31 are independently selected from hydrogen, alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl, haloalkynyl, optionallly substituted aryl and optionally substituted aryalkyl; and Z is halogen.(FR) L'invention concerne des nouveaux composés de formule (I) ayant des propriétés nématicides, insecticides, acaricides et fongicides, des compositions comprenant ces composés et des procédés ainsi que des intermédiaires pour leur préparation; formule dans laquelle R1 représente -S(O)nCH2CH2CH=CF2; n est sélectionné entre 0, 1 and 2; R2, R3, et R4 sont sélectionnés indépendamment parmi hydrogène, alkyle, alcényle, alcynyle, cycloalkyle, alkylcycloalkyle, aryle éventuellement substitué, arylalkyle éventuellement substitué, aryloxy éventuellement substitué, arylalkyloxy éventuellement substitué, alcoxy, alcényloxy, alcynyloxy, hydroxyalkyle, alcoxyalkyle, alkylthio, alcénylthio, alcynylthio, haloalkyle, haloalcényle, haloalcynyle, haloalcoxy, haloalcényloxy, haloalcynyloxy, haloalkylthio, haloalcénylthio, haloalcynylthio, halogène, hydroxy, cyano, nitro, -NR5R6, -NR7COR8, -NR9SO2R10, -N(SO2-R11)(SO2-R12), -COR13, -CONR14R15, -COOR16, -OCOR17, -OSO2R18, -SO2NR19R20, -SO2R21, -SOR22, -CSNR23R24, -SiR25R26R27, -OCH2CO2R28, -OCH2CH2CO2R29, -CONR30SO2R31, -SO2Z, ou une paire adjacente de R2, R3 and R4 lorsqu'ils sont pris ensemble forment un cycle carbocyclique ou hétérocyclique fusionné à 5ou 6 chaînons; R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, R21, R22, R23, R24, R25, R26, R27, R28, R29, R30 et R31 sont sélectionnés indépendamment parmi hydrogène, alkyle, alcényle, alcynyle, haloalkyle, haloalkényle, haloalkynyle, aryle éventuellement substitué et arylalkyle éventuellement substitué; et Z représente halogène.
• [EN] 2-PYRIMIDINE THIOESTERS AND THIOCARBONATES AS SKIN BRIGHTENING AGENTS<br/>[FR] 2-PYRIMIDINE THIOESTERS ET THIOCARBONATES UTILISÉS EN TANT QU'AGENTS ÉCLAIRCISSANT LA PEAU
  申请人：EASTMAN CHEM CO

  公开号：WO2013154832A2

  公开（公告）日：2013-10-17

  2-Pyrimidine thioesters and thiocarbonates are disclosed as effective skin brightening agents. These compounds may be formulated with dermatologically acceptable carriers to form skin brightening compositions. Methods for brightening skin and for inhibiting melanogenesis using these agents are also disclosed.