戊甲基苯硫醇 | 42448-56-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 中文名称: 戊甲基苯硫醇
• 英文名称: 2,3,4,5,6-pentamethylbenzenethiol
• 英文别名: Pentamethylbenzenethiol
• CAS: 42448-56-6
• 化学式: C₁₁H₁₆S
• mdl: MFCD06655221
• 分子量: 180.314
• InChiKey: TZUPAWCZQMMBGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  戊甲基苯硫醇 在 sodium periodate 、 zinc(II) iodide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 (8-Pentamethylbenzenesulfinyl-5,6,7,8-tetrahydro-naphthalen-1-yl)-methanol
  参考文献：
  名称：

  The synthesis of sultines from δ-hydroxy sulfoxides revisited

  摘要：

  A re-examination of a previously thought general synthesis of sultines from delta-hydroxy sulfoxides is shown to be more complicated than originally believed. The products obtained can be alpha,alpha'-dihaloxylenes or delta-halosulfones. The results are best interpreted based on carbocation stability of the key oxo-sulfoxonium salt intermediate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00093-2
• 作为产物：
  描述：

  五甲基苯 在 chlorosulphuric acid 、 硫酸 、 锌 作用下， 生成 戊甲基苯硫醇
  参考文献：
  名称：

  Bock, Hans; Rittmeyer, Peter, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 68, # 1-4, p. 261 - 292

  摘要：

  DOI：

文献信息

• [EN] METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES<br/>[FR] PROCÉDÉS DE PRODUCTION DE PENTAFLUORURES DE SOUFRE ARYLÉS
  申请人：IM & T RES INC

  公开号：WO2010014665A1

  公开（公告）日：2010-02-04

  Novel methods for preparing arylsulfur pentafluorides are disclosed. Arylsulfur halotetrafluoride is reacted with a fluoride source under hydrous conditions to form an arylsulfur pentafluoride. The purification method is also disclosed.

  揭示了制备芳基硫五氟化物的新方法。芳基硫卤四氟化物在湿润条件下与氟化物源反应，形成芳基硫五氟化物。还公开了纯化方法。
• Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene
  作者：Sonam Mehrotra、Raja Angamuthu

  DOI：10.1039/c6ce00496b

  日期：——

  study the lone pair–π interaction between the triazine ring centroid of these molecules and halogenated solvents. All the eight compounds were characterized using 1H and 13C NMR spectroscopy and single crystal X-ray diffraction techniques. All these compounds show interesting structural properties in the solid state. Unprecedented Janus head type lp⋯π⋯lp and S⋯F⋯S interactions were observed between

  合成了一系列八种三芳基硫代三嗪，以研究这些分子的三嗪环质心与卤代溶剂之间的孤对-π相互作用。使用1 H和13 C NMR光谱和单晶X射线衍射技术对所有8种化合物进行了表征。所有这些化合物在固态下均表现出令人感兴趣的结构性质。在三芳基硫代三嗪之一与六氟苯之间观察到前所未有的Janus头型lp⋯π⋯lp和S⋯F⋯S相互作用。
• PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES
  申请人：UMEMOTO TERUO

  公开号：US20080234520A1

  公开（公告）日：2008-09-25

  Novel processes for preparing arylsulfur pentafluorides are disclosed. Processes include reacting at least one aryl sulfur compound with a halogen and a fluoro salt to form an arylsulfur halotetrafluoride. The arylsulfur halotetrafluoride is reacted with a fluoride source to form a target arylsulfur pentafluoride.

  揭示了制备芳基硫五氟化物的新工艺。该工艺包括将至少一种芳基硫化合物与卤素和氟盐反应，形成芳基硫卤四氟化物。然后将芳基硫卤四氟化物与氟化物源反应，形成目标芳基硫五氟化物。
• FLUOROSURFACTANTS
  申请人：Hierse Wolfgang

  公开号：US20090264525A1

  公开（公告）日：2009-10-22

  The present invention relates to fatty acid esters of polyols or sulfonated fatty acid esters or sulfonated fatty acid amides containing at least one group Y, where Y stands for CF 3 —(CH 2 ) a —O—, SF 5 —, CF 3 —(CH 2 ) a —S—, CF 3 CF 2 S—, [CF 3 —(CH 2 ) a ] 2 N— or [CF 3 —(CH 2 ) a ]NH—, where a stands for an integer selected from the range from 0 to 5, or formula (I), where Rf stands for CF 3 —(CH 2 ) r —, CF 3 —(CH 2 ) r —O—, CF 3 —(CH 2 ) r —S—, CF 3 CF 2 —S—, SF 5 —(CH 2 ) t — or [CF 3 —(CH 2 ) r ] 2 N—, [CF 3 —(CH 2 ) r ]NH— or (CF 3 ) 2 N—(CH 2 ) r —, B stands for a single bond, O, NH, NR, CH 2 , C(O)—O, C(O), S, CH 2 —O, O—C(O), N—C(O), C(O)—N, O—C(O)—N, N—C(O)—N, O—SO 2 or SO 2 —O, R stands for alkyl having 1 to 4 C atoms, b stands for 0 or 1 and c stands for 0 or 1, q stands for 0 or 1, where at least one radical from b and q stands for 1, and r stands for 0, 1, 2, 3, 4 or 5, to processes for the preparation of these compounds, and to uses of these surface-active compounds.

  本发明涉及聚醇或磺化脂肪酸酯或磺化脂肪酸酰所含有至少一个基团Y的化合物，其中Y代表CF3—(CH2)a—O—，SF5—，CF3—(CH2)a—S—，CF3CF2S—，[CF3—(CH2)a]2N—或[CF3—(CH2)a]NH—，其中a代表从0到5的整数范围内选择的整数，或者式(I)，其中Rf代表CF3—(CH2)r—，CF3—(CH2)r—O—，CF3—(CH2)r—S—，CF3CF2—S—，SF5—(CH2)t—或[CF3—(CH2)r]2N—，[CF3—(CH2)r]NH—或(CF3)2N—(CH2)r—，B代表单键，O，NH，NR，CH2，C(O)—O，C(O)，S，CH2—O，O—C(O)，N—C(O)，C(O)—N，O—C(O)—N，N—C(O)—N，O—SO2或SO2—O，R代表含有1至4个碳原子的烷基，b代表0或1，c代表0或1，q代表0或1，其中至少一个来自b和q的基团为1，r代表0、1、2、3、4或5，以及制备这些化合物的方法和这些表面活性化合物的用途。
• Fluorosurfactants
  申请人：Hierse Wolfgang

  公开号：US20100152081A1

  公开（公告）日：2010-06-17

  The invention relates to compounds comprising an aryl sulfonate group, a spacer and a Y group, wherein Y represents CF 3 —(CH 2 ) a —O—, SF 5 —, CF 3 —(CH 2 ) a —S—, CF 3 CF 2 S—, [CF 3 —(CH 2 ) a ] 2 N— or [CF 3 —(CH 2 ) a ]NH—, a represents a whole number selected from the range of 0 to 5 or (formula I), Rf represents CF 3 —(CH 2 ) r —, CF 3 —(CH 2 ) r —O—, CF 3 —(CH 2 ) r —S—, CF 3 CF 2 —S—, SF 5 —(CH 2 ) r — or [CF 3 —(CH 2 ) r ] 2 N—, [CF 3 —(CH 2 ) r ]NH— or (CF 3 ) 2 N—(CH 2 ) r —, B represents a simple bond, O, NH, NR, CH 2 , C(O)—O, C(O), S, CH 2 —O, O—C(O), N—C(O)1C(O)—N, O—C(O)—N, N—C(O)—N, O—SO 2 or SO 2 —O, R represents alkyl having 1 to 4 C-atoms, b represents 0 or 1 and c represents 0 or 1, q represents 0 or 1, at least one radical from b and q represents 1, and r represents 0, 1, 2, 3, 4 or 5. The invention also relates to a method for the production of said compounds and to the uses of said surface-active compounds.

  本发明涉及一种化合物，其包括苯基磺酸酯基、间隔基和Y基，其中Y代表CF3—(CH2)a—O—、SF5—、CF3—(CH2)a—S—、CF3CF2S—、[CF3—(CH2)a]2N—或[CF3—(CH2)a]NH—，a代表从0到5的整数或（公式I），Rf代表CF3—(CH2)r—、CF3—(CH2)r—O—、CF3—(CH2)r—S—、CF3CF2—S—、SF5—(CH2)r—或[CF3—(CH2)r]2N—、[CF3—(CH2)r]NH—或(CF3)2N—(CH2)r—，B代表简单键、O、NH、NR、CH2、C(O)—O、C(O)、S、CH2—O、O—C(O)、N—C(O)1C(O)—N、O—C(O)—N、N—C(O)—N、O—SO2或SO2—O，R代表具有1至4个碳原子的烷基，b代表0或1，c代表0或1，q代表0或1，b和q中至少有一个基团为1，r代表0、1、2、3、4或5。本发明还涉及一种制备该化合物的方法以及该表面活性化合物的用途。