1-(乙硫基)-3-甲氧基苯 | 38474-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(乙硫基)-3-甲氧基苯
• 英文名称: 1-(Ethylthio)-3-methoxybenzene
• 英文别名: ethyl 3-methoxyphenyl sulphide；m-(ethanethio)anisole；1-(ethylsulfanyl)-3-methoxybenzene；3-Methoxy-thiophenetol；1-ethylsulfanyl-3-methoxybenzene
• CAS: 38474-02-1
• 化学式: C₉H₁₂OS
• mdl: MFCD11617684
• 分子量: 168.26
• InChiKey: BEPBPCRLISEYKM-UHFFFAOYSA-N

物化性质

• 沸点：
  125 °C(Press: 12 Torr)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(乙硫基)-3-甲氧基苯 在 三溴化硼 、 二乙醇胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.25h， 生成 苯酚,3-(乙硫基)-
  参考文献：
  名称：

  [EN] NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS
  [FR] DERIVES DE NICOTINAMIDE AGISSANT COMME INHIBITEURS DE PDE4

  摘要：

  这项发明涉及式(I)的烟酰胺衍生物，以及含有该类衍生物的药物组合物，以及将这些衍生物用作PDE4抑制剂的用途，其中R7连接到苯环的3-或4-位，并且为S(O)pR8，R8为(C1-C4)烷基，可选择地被(C3-C6)环烷基取代；m为0或1；L为(C3-C8)非芳香环；其余变量如索权中所定义。

  公开号：

  WO2005009966A1
• 作为产物：
  描述：

  3-甲氧基苯硫酚 在 sodium ethanolate 、 sodium hydride 、 三乙胺 、 sodium iodide 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 、 丙酮 为溶剂， 反应 154.5h， 生成 1-(乙硫基)-3-甲氧基苯
  参考文献：
  名称：

  Benedetti, Fabio; Fabrissin, Silvio; Rusconi, Alessandro, Gazzetta Chimica Italiana, 1988, vol. 118, # 4, p. 233 - 240

  摘要：

  DOI：

文献信息

• Metallation reactions. XX. regioselective metallation of (alkylthio)methoxybenzenes by superbases versus organolithium compounds
  作者：Salvatore Cabiddu、Claudia Fattuoni、Costantino Floris、Gioanna Gelli、Stefana Melis

  DOI：10.1016/s0040-4020(01)80413-0

  日期：1993.5

  (Alkylthio)methoxybenzenes have been metallated using two different metallating agents. The results show that sometimes superbases and butyllithium do not functionalize the same sites. Superbases monometallate the thiomethylic carbon of meta and para (methylthio)methoxybenzenes. The same substrates on the other hand are metallated by butyllithium in ortho to the methoxy group. One-step dimetallation

  （烷硫基）甲氧基苯已经使用两种不同的金属化剂金属化。结果表明，有时超碱和丁基锂不能官能化相同的位点。超碱单金属化间和对（甲硫基）甲氧基苯的硫代甲基碳。另一方面，相同的底物被丁基锂邻位甲氧基金属化。一步法与dimetallation要么超强碱进行，或者在thiomethylic碳和在芳基碳发生丁基锂邻于甲氧基。对位异构体（1c）与超碱的两个连续的一锅单金属化发生在硫代甲基碳和环状碳上甲氧基的邻位，按此顺序。用丁基锂类似的方法将两个邻位金属化成甲氧基。（乙硫基）衍生物（1d）的单金属化产生使用超碱或丁基锂在甲氧基上邻位取代的产物。该化合物的Dimetallation总是取代的氢邻到甲氧基和thiomethylenic氢。
• Selective cleavage of the carbon-sulphur and carbon-oxygen bonds in methoxythioanisoles
  作者：L. Testaferri、M. Tiecco、M. Tingoli、D. Chianelli、F. Maiolo

  DOI：10.1016/0040-4020(82)80028-8

  日期：——

  Selective cleavage of thioether of ether functions in methoxythioanisoles in hexamethylphosphoramide (HMPA) with sodium gives methoxythiophenols by cleavage of the carbon-sulphur bond. Reactions with sodium isopropanethiolate give instead the thiomethoxyphenols by dealkylation of the methoxy function. When the methoxythioanisoles were treated first with sodium isopropanethiolate and then with sodium

  六甲基磷酰胺（HMPA）中甲氧基硫代苯甲醚中的醚官能团硫醚的选择性裂解与钠反应，通过碳硫键的裂解得到甲氧基硫酚。与异丙硫醇钠的反应通过使甲氧基官能团脱烷基而得到硫代甲氧基苯酚。当先用异丙硫醇钠然后用钠处理甲氧基硫代苯甲醚时，通过巯基酚的形成可实现完全脱烷基。与合成甲氧基硫酚，硫代甲氧基苯酚和巯基酚的现有方法相比，本方法具有明显的优点。还讨论了所研究反应的机理含义。
• Nicotinamide derivatives useful as PDE4 inhibitors
  申请人：Bailey Simon

  公开号：US20050032838A1

  公开（公告）日：2005-02-10

  This invention relates to nicotinamide derivatives of formula (I) and to processes for the preparation of, intermediates used in the preparation of, pharmaceutical compositions containing, and the uses of such derivatives: wherein R 1 is selected from the group consisting of hydrogen, methyl or halo; R 7 is attached to the 3- or 4-position of the phenyl ring and is S(O) p R 8 , R 8 is (C 1 -C 4 )alkyl optionally substituted by (C 3 -C 6 )cycloalkyl; p is 0, 1 or 2; R 6 is selected from the group consisting of hydrogen, halo, (C 1 -C 3 )alkyl and (C 1 -C 3 )alkoxy; m is 0 or 1; L is a (C 3 -C 8 )carbocyclic non-aromatic ring; R 2 is hydrogen, hydroxy, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkyl (optionally substituted by hydroxy or by (C 1 -C 3 )alkoxy), CO 2 R 9 , NR 10 R 11 or CONR 10 R 11 ; R 3 is hydrogen or (C 1 -C 3 )alkyl; R 9 is hydrogen or (C 1 -C 3 )alkyl; R 10 and R 11 are each independently hydrogen, or, are selected from the group consisting of: (C 1 -C 6 )alkyl optionally substituted by phenyl or a 5- or 6-membered heterocyclic ring incorporating 1 to 3 heteroatom(s) independently selected from N, O and S, which phenyl is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy and which heterocyclic ring is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or oxo; (C 3 -C 8 )cycloalkyl; CO((C 1 -C 6 )alkyl) optionally substituted by hydroxy, halo, (C 3 -C 8 )cycloalkyl, (C 1 -C 3 )alkoxy, phenyl or a 5- or 6-membered heterocyclic ring incorporating 1 to 3 heteroatom(s) independently selected from N, O and S, which phenyl is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy and which heterocyclic ring is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or oxo; CO(R 12 ), wherein R 12 is (C 3 -C 8 )cycloalkyl optionally substituted by (C 1 -C 3 )alkyl or R 12 is phenyl or a 5- or 6-membered heterocyclic ring incorporating 1 to 3 heteroatom(s) independently selected from N, O and S, which phenyl is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy and which heterocyclic ring is optionally substituted by one or more subsituents selected from hydroxy, halo, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or oxo; and CO 2 (C 1 -C 3 )alkyl); or R 10 and R 11 are taken together with the N atom to which they are attached to form a 5- or 6-membered lactam.

  本发明涉及化合物(I)的烟酰胺衍生物，以及制备这些衍生物的中间体的制备方法，含有这些衍生物的制药组合物，以及这些衍生物的用途：其中R1选自氢、甲基或卤素的群；R7附加到苯环的3-或4-位上，为S（O）pR8，R8为（C1-C4）烷基，可选地被（C3-C6）环烷基取代，p为0、1或2；R6选自氢、卤素、（C1-C3）烷基和（C1-C3）烷氧基的群；m为0或1；L为（C3-C8）非芳香环烷基；R2为氢、羟基、（C1-C3）烷氧基、（C1-C3）烷基（可选地被羟基或（C1-C3）烷氧基取代）、CO2R9、NR10R11或CONR10R11的群；R3为氢或（C1-C3）烷基；R9为氢或（C1-C3）烷基；R10和R11各自独立地选自以下群：（C1-C6）烷基，可选地被苯基或包含1至3个杂原子（独立选自N、O和S）的5-或6-成员杂环取代，其中苯基可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基或（C1-C3）烷氧基，而杂环可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基、（C1-C3）烷氧基或氧代基；（C3-C8）环烷基；CO（（C1-C6）烷基），可选地被羟基、卤素、（C3-C8）环烷基、（C1-C3）烷氧基、苯基或包含1至3个杂原子（独立选自N、O和S）的5-或6-成员杂环取代，其中苯基可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基或（C1-C3）烷氧基，而杂环可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基、（C1-C3）烷氧基或氧代基；CO（R12），其中R12为（C3-C8）环烷基，可选地被（C1-C3）烷基取代，或R12为苯基或包含1至3个杂原子（独立选自N、O和S）的5-或6-成员杂环，其中苯基可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基或（C1-C3）烷氧基，而杂环可选地被一个或多个亚基选自羟基、卤素、（C1-C3）烷基、（C1-C3）烷氧基或氧代基；以及R10和R11一起与它们所附着的N原子形成5-或6-成员内酰胺。
• TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS
  申请人：Tao Chunlin

  公开号：US20120172361A1

  公开（公告）日：2012-07-05

  Compounds of the formula (I) and formula (II) and pharmaceutically acceptable salts thereof.

  公式（I）和公式（II）的化合物及其药学上可接受的盐。
• Pattern forming method, composition kit and resist film, manufacturing method of electronic device using these, and electronic device
  申请人：FUJIFILM Corporation

  公开号：US10031419B2

  公开（公告）日：2018-07-24

  There is provided a pattern forming method comprising (i) forming a film on a substrate using an actinic ray-sensitive or radiation-sensitive resin composition which contains (A) a resin which decomposes due to an action of an acid to change its solubility with respect to a developer and (C) a specific resin, (ii) forming a top coat layer using a top coat composition which contains a resin (T) on the film, (iii) exposing the film which has the top coat layer to actinic rays or radiation, and (iv) forming a pattern by developing the film which has the top coat layer after the exposing.

  本发明提供了一种图案形成方法，包括(i)使用感光树脂组合物或辐射敏感树脂组合物在基底上形成胶片，该组合物包含(A)由于酸的作用而分解，从而改变其相对于显影剂的溶解度的树脂和(C)特定树脂、(ii) 使用含有树脂 (T) 的表层组合物在胶片上形成表层，(iii) 将具有表层的胶片暴露于放 射线或辐射，(iv) 在暴露后对具有表层的胶片进行显影，形成图案。

表征谱图