3-(三氟甲硫基)苯甲醇 | 82174-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(三氟甲硫基)苯甲醇
• 中文别名: 3-(三氟甲基硫代)苄醇
• 英文名称: 3-<(trifluoromethyl)thio>benzyl alcohol
• 英文别名: {3-[(trifluoromethyl)sulfanyl]phenyl}methanol；3-[(trifluoromethyl)thio]benzyl alcohol；(3-trifluoromethylthiophenyl)methanol；3-(Trifluoromethylthio)benzyl alcohol；[3-(trifluoromethylsulfanyl)phenyl]methanol
• CAS: 82174-08-1
• 化学式: C₈H₇F₃OS
• mdl: MFCD00236341
• 分子量: 208.204
• InChiKey: WFTYAJMQWUPQRU-UHFFFAOYSA-N

物化性质

• 沸点：
  194.6±40.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• 安全说明：
  S26,S36

反应信息

• 作为反应物：
  描述：

  3-(三氟甲硫基)苯甲醇 在 氯化亚砜 作用下， 反应 18.0h， 生成 1-(氯甲基)-3-[(三氟甲基)硫基]苯
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012
• 作为产物：
  描述：

  3-(三氟甲基硫代)苯甲酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 6.0h， 以55%的产率得到3-(三氟甲硫基)苯甲醇
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012

文献信息

• Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020120011A1

  公开（公告）日：2002-08-29

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Preferred tertiary-heteroalkylamine compounds are substituted N,N-disubstituted diamines. A preferred specific N,N-disubstituted diamine is the compound: 1

  这项发明涉及替代多环芳基和杂环芳基的三级杂烷基胺化合物，可用作胆固醇酯转移蛋白（CETP；血浆脂质转移蛋白-I）的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。首选的三级杂烷基胺化合物是取代的N,N-二取代二胺。首选的具体N,N-二取代二胺化合物是：1
• (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020177708A1

  公开（公告）日：2002-11-28

  The invention relates to substituted aryl and heteroaryl (R)-Chiral Halogenated 1-Substitutedamino-(n+1)-Alkanol compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Novel high yield, stereoselective processes for the preparation of the chiral substituted alkanol compounds from chiral and achiral intermediates are described.

  这项发明涉及取代芳基和杂环芳基的(R)-手性卤代1-取代氨基-(n+1)-烷醇化合物，用作胆固醇酯转移蛋白(CETP；血浆脂质转移蛋白-I)的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。描述了从手性和不对映体中间体制备手性取代烷醇化合物的新型高产率、立体选择性过程。
• A sustainable procedure toward alkyl arylacetates: palladium-catalysed direct carbonylation of benzyl alcohols in organic carbonates
  作者：Yahui Li、Zechao Wang、Xiao-Feng Wu

  DOI：10.1039/c7gc03619a

  日期：——

  A sustainable procedure for the synthesis of various alkyl arylacetates from benzyl alcohols has been developed. With palladium as the catalyst and organic carbonates as the green solvent and in situ activator, benzyl alcohols were carbonylated in an efficient manner without any halogen additives.

  已经开发了从苄醇合成各种烷基芳基乙酸酯的可持续方法。以钯为催化剂，有机碳酸盐为绿色溶剂和原位活化剂，苯甲醇以有效的方式羰基化，而没有任何卤素添加剂。
• Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade
  申请人：Pharmacia Corporation

  公开号：US20020198199A1

  公开（公告）日：2002-12-26

  The present invention relates to compounds, and prodrugs thereof, composition and methods useful for preventing and treating thrombotic conditions in mammals. The compounds of the present invention, and prodrugs thereof, selectively inhibit certain proteases of the coagulation cascade.

  本发明涉及化合物及其前药、组合物和方法，用于预防和治疗哺乳动物的血栓性疾病。本发明的化合物及其前药有选择性地抑制凝血级联中的某些蛋白酶。
• Mild and Soft Catalyzed Trifluoromethylthiolation of Boronic Acids: The Crucial Role of Water
  作者：Quentin Glenadel、Sébastien Alazet、Anis Tlili、Thierry Billard

  DOI：10.1002/chem.201502338

  日期：2015.10.12

  generation of trifluoromethanesulfenamides undergoes a copper‐catalyzed cross‐coupling reaction with boronic acids to afford CF3S‐molecules. Contrary to the previous methods in the literature, no base addition, no heating, and no large excess of reagents are required to obtain good results. Furthermore, a crucial role of a small amount of water to favor this reaction has been demonstrated. This constitutes

  最活泼的第二代三氟甲烷亚磺酰胺与硼酸进行铜催化的交叉偶联反应，得到CF 3 S分子。与文献中的先前方法相反，不需要碱添加，无需加热并且不需要大量过量的试剂即可获得良好的结果。此外，已经证明了少量水有助于该反应的关键作用。这构成了描述这种反应最温和的条件。