(4-methylbenzyl)(trifluoromethyl)sulfane | 1444123-76-5

• 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: (4-methylbenzyl)(trifluoromethyl)sulfane
• 英文别名: 1-Methyl-4-(trifluoromethylsulfanylmethyl)benzene
• CAS: 1444123-76-5
• 化学式: C₉H₉F₃S
• 分子量: 206.232
• InChiKey: NGELPYQHVHSWRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-methylbenzyl)(trifluoromethyl)sulfane 在 双氧水 作用下， 以 水 、 溶剂黄146 为溶剂， 以70%的产率得到p-Methylbenzyl Trifluoromethyl Sulfone
  参考文献：
  名称：

  Copper-Catalyzed Direct Trifluoromethylthiolation of Benzylic C–H Bonds via Nondirected Oxidative C(sp³)–H Activation

  摘要：

  A copper-catalyzed trifluoromethylthiolation of benzylic sp(3) C-H bonds was developed via nondirected oxidative C-H activation using readily prepared and stable AgSCF3. This reaction provides a novel and straightforward method for the preparation of various benzyl trifluoromethyl sulfides.

  DOI：

  10.1021/ol501400u
• 作为产物：
  描述：

  对二甲苯 、 silver trifluoromethanesulfonate 在 噻吩-2-甲酸亚铜(I) 、 potassium chloride 、 tert-butyl 3-(trifluoromethyl)benzenecarboperoxoate 作用下， 反应 16.08h， 以92%的产率得到(4-methylbenzyl)(trifluoromethyl)sulfane
  参考文献：
  名称：

  Copper-Catalyzed Direct Trifluoromethylthiolation of Benzylic C–H Bonds via Nondirected Oxidative C(sp³)–H Activation

  摘要：

  A copper-catalyzed trifluoromethylthiolation of benzylic sp(3) C-H bonds was developed via nondirected oxidative C-H activation using readily prepared and stable AgSCF3. This reaction provides a novel and straightforward method for the preparation of various benzyl trifluoromethyl sulfides.

  DOI：

  10.1021/ol501400u

文献信息

• Deoxytrifluoromethylthiolation and Selenylation of Alcohols by Using Benzothiazolium Reagents
  作者：Stefan Dix、Michael Jakob、Matthew N. Hopkinson

  DOI：10.1002/chem.201901607

  日期：2019.6.7

  Aliphatic compounds substituted with medicinally important trifluoromethylthio (SCF3) and trifluoromethylselenyl (SeCF3) groups were synthesized directly from alcohols by using the new benzothiazolium salts BT‐SCF3 and BT‐SeCF3. These bench‐stable fluorine‐containing reagents are facile to use and can be prepared in two steps from non‐fluorinated heteroaromatic starting materials. The metal‐free d

  使用新的苯并噻唑鎓盐BT-SCF 3和BT-SeCF 3从醇中直接合成被医学上重要的三氟甲硫基（SCF 3）和三氟甲基硒基（SeCF 3）取代的脂肪族化合物。这些台式稳定的含氟试剂易于使用，可以由非氟化杂芳族原料分两步制备。使用BT-SCF 3的无金属脱氧三氟甲基硫醇化过程在温和条件下进行，使用BT-SeCF 3的三氟甲基硒基化反应同样有效 据我们所知，这是首次报道这种转变的例子。
• [EN] FLUORINE-CONTAINING COMPOUNDS FOR USE AS NUCLEOPHILIC REAGENTS FOR TRANSFERRING FUNCTIONAL GROUPS ONTO HIGH VALUE ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS CONTENANT DU FLUOR DESTINÉS À ÊTRE UTILISÉS EN TANT QUE RÉACTIFS NUCLÉOPHILES POUR TRANSFÉRER DES GROUPES FONCTIONNELS SUR DES COMPOSÉS ORGANIQUES À VALEUR ÉLEVÉE
  申请人：UNIV BERLIN FREIE

  公开号：WO2020141195A1

  公开（公告）日：2020-07-09

  The present invention relates to a compound of general formulae (I) and their use as reagents

  本发明涉及一种一般式(I)的化合物及其作为试剂的用途。
• RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES
  申请人：Takabe Fumiaki

  公开号：US20110287937A1

  公开（公告）日：2011-11-24

  Provided are 2-pyridone derivatives which have excellent herbicidal activity and exhibit high safety to useful crops and so on; salts thereof; and herbicides containing same. In more detail, 2-pyridone derivatives represented by general formula [I] or agrochemically acceptable salts thereof, and herbicides containing these compounds are provided. In general formula [I], X 1 is an oxygen atom or a sulfur atom; X 2 , X 3 , and X 4 are to each CH or N(O) m ; m is an integer of 0 or 1; R 1 is a hydrogen atom, a C 1-12 alkyl group, or the like; R 2 is a halogen atom, a cyano group, or the like; n is an integer of 0 to 4; R 3 is a hydroxyl group, a halogen atom, or the like; A 1 is C(R 11 R 12 ); A 2 is C(R 13 R 14 ) or C═O; A 3 is C(R 15 R 16 ); and R 11 , R 12 , R 13 , R 14 , R 15 , and R 16 are each independently a hydrogen atom or a C 1-6 alkyl group.

  提供了具有优异除草活性并对有用作物等表现出高安全性的2-吡啶酮衍生物；其盐；以及含有这些化合物的除草剂。更详细地说，提供了通式[I]所表示的2-吡啶酮衍生物或其农药可接受的盐，以及含有这些化合物的除草剂。在通式[I]中，X1是氧原子或硫原子；X2、X3和X4分别为CH或N(O)m；m是0或1的整数；R1是氢原子，C1-12烷基或类似物；R2是卤素原子，氰基或类似物；n是0到4的整数；R3是羟基，卤素原子或类似物；A1是C(R11R12)；A2是C(R13R14)或C═O；A3是C(R15R16)；R11、R12、R13、R14、R15和R16分别独立地是氢原子或C1-6烷基基团。
• [EN] 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES<br/>[FR] DÉRIVÉ 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE ET HERBICIDES
  申请人：KUMIAI CHEMICAL INDUSTRY CO

  公开号：WO2012002096A1

  公开（公告）日：2012-01-05

  Disclosed are compounds exhibiting sufficient herbicidal activity at low application dosage when they are applied to soils and foliage, and an agrochemical composition using the same, in particular herbicides. The compounds are triazine derivatives represented by following Formula 1 or salts thereof, and the herbicides containing them: [Chem. 28] wherein in the formula, R1 represents a hydrogen atom; a C1-C12 alkyl group; a C2-C6 alkenyl group, etc., R2 represents a C1-C12 alkyl group, etc., Y and Z represent an oxygen atom or a sulfur atom, and A represents a 5- or 6-membered cyclic group which may contain a nitrogen atom, an oxygen atom, or a sulfur atom.

  本公开了一种在施加于土壤和叶面时表现出足够的除草活性的化合物，以及使用这些化合物的农药组合物，特别是除草剂。这些化合物是由以下化学式1所代表的三嗪衍生物或其盐，以及含有它们的除草剂：[Chem. 28] 在该式中，R1代表氢原子；C1-C12烷基；C2-C6烯基等，R2代表C1-C12烷基等，Y和Z代表氧原子或硫原子，A代表可能含有氮原子、氧原子或硫原子的5-或6-成员环状基团。
• 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES
  申请人：Shibayama Atsushi

  公开号：US20130102468A1

  公开（公告）日：2013-04-25

  Disclosed are compounds exhibiting sufficient herbicidal activity at low application dosage when they are applied to soils and foliage, and an agrochemical composition using the same, in particular herbicides. The compounds are triazine derivatives represented by following Formula 1 or salts thereof, and the herbicides containing them: [Chem. 28] wherein in the formula, R 1 represents a hydrogen atom; a C 1 -C 12 alkyl group; a C 2 -C 6 alkenyl group, etc., R 2 represents a C 1 -C 12 alkyl group, etc., Y and Z represent an oxygen atom or a sulfur atom, and A represents a 5- or 6-membered cyclic group which may contain a nitrogen atom, an oxygen atom, or a sulfur atom.

  本发明涉及一种化合物，当其应用于土壤和叶面时，能够表现出足够的除草活性，且在低剂量下即可实现。同时还涉及使用该化合物的农药组合物，特别是除草剂。该化合物是三嗪衍生物，由以下公式1或其盐所表示，并且包含它们的除草剂：[Chem. 28] 公式中，R1代表氢原子；C1-C12烷基；C2-C6烯基等；R2代表C1-C12烷基等；Y和Z代表氧原子或硫原子；A代表一个5-或6-成员环状基团，该基团可以包含氮原子、氧原子或硫原子。