6,6′-disulfanediylbis(3-(trifluoromethyl)aniline) | 7038-40-6

• 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: 6,6′-disulfanediylbis(3-(trifluoromethyl)aniline)
• 英文别名: 2-Amino-4-trifluoromethylphenyl disulfide；2-[[2-amino-4-(trifluoromethyl)phenyl]disulfanyl]-5-(trifluoromethyl)aniline
• CAS: 7038-40-6
• 化学式: C₁₄H₁₀F₆N₂S₂
• 分子量: 384.369
• InChiKey: HXDWRMYKQPNWEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6,6′-disulfanediylbis(3-(trifluoromethyl)aniline) 在 咪唑 、 锂硼氢 、 triphenylphosphine dibromide 1:1 addition complex 、 1,4-二巯基-2,3-丁二醇 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-trifluoromethyl-11,12-dihydro-6H-dibenzo[b,f][1,4]thiazocine
  参考文献：
  名称：

  Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17β-hydroxysteroid dehydrogenase type 3

  摘要：

  A novel series of 17 beta-hydroxysteroid dehydrogenase type 3 (17 beta-HSD3) inhibitors has been identified. These inhibitors, based on a dibenzazocine core, exhibited picomolar to low nanomolar inhibition of 17 beta-HSD3 in cell-free enzymatic as well as in cell-based transcriptional reporter assays. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.039
• 作为产物：
  描述：

  2-氨基-4-(三氟甲基)苯硫酚盐酸盐 在 iron(III) chloride 、 三乙胺 、 sodium iodide 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 0.34h， 生成 6,6′-disulfanediylbis(3-(trifluoromethyl)aniline)
  参考文献：
  名称：

  砷（III）-反应性香豆素附加的苯并噻唑啉的合成和性质：无机砷检测的新方法

  摘要：

  EPA已建立饮用水中砷（As）的最大污染物水平（MCL）10 ppb，这需要灵敏且选择性的检测方法。为了应对这一挑战，我们一直在积极构建与As 3+特异性反应的小分子，以提供一种新的荧光物质（称为化学计量仪）。我们在这项贡献中报告了两个小分子荧光探针的合成和光谱学，我们称其为ArsenoFluors（或AF）作为特定的化学计量仪。AF（AF1和AF2）结合了香豆素荧光报告分子和As-反应性苯并噻唑啉官能团。AF与As 3+反应生成高荧光香豆素6染料（C6），在λem处荧光增强20–25倍〜约500 nm，在298 K下在四氢呋喃（THF）中的检出限为0.14-0.23ppb。AF还与常见的环境3+源（例如THF / CHES中的亚砷酸钠）反应（N-环己基-2-氨基乙烷磺酸） （1：1，pH 9，298 K）混合物，由于香豆素6衍生物在高极性溶剂中的猝灭特性，导致适度的荧光开启（1.5到3倍）。对AF与As

  DOI：

  10.1021/ic301730z

文献信息

• Efficient Synthesis of Benzothiazolone Derivatives by a Domino Reaction of Disulfide and COS under Mild Conditions
  作者：Bohao Zhou、Hailong Hong、Hongcai Wang、Tianmiao Zhang、Limin Han、Ning Zhu

  DOI：10.1002/ejoc.201801393

  日期：2018.12.31

  efficient method for preparing benzothiazolone derivatives was developed by a domino coupling reaction between the disulfide and COS in the present of NaOH. Notably, the C=O of COS was converted into benzothiazolone by carbonylation reaction and the sulfur of COS was transformed into sulfur and sulfide after cleaving the S–S bond under mild conditions. This efficient synthetic methodology could provide

  通过在NaOH存在下二硫键与COS之间的多米诺骨牌反应，开发了一种制备苯并噻唑酮衍生物的有效方法。值得注意的是，通过羰基化反应，COS的C = O转化为苯并噻唑酮，在温和条件下裂解S-S键后，COS的硫转化为硫和硫化物。这种有效的合成方法可以为利用COS提供有希望的过程。
• Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases
  作者：Jesse B. Gordon、Jeremy P. McGale、Joshua R. Prendergast、Zahra Shirani-Sarmazeh、Maxime A. Siegler、Guy N. L. Jameson、David P. Goldberg

  DOI：10.1021/jacs.8b08349

  日期：2018.11.7

  helping to clarify the coordination environment of the cys-bound FeII active site. Reaction of 1 or 2 with O2 at -95 °C leads to S-oxygenation of the abt ligand, and in the case of 2, a rare di(sulfinato)-bridged complex, [Fe2III(μ-O)((2-NH2) p-CF3C6H3SO2)2](OTf)2 ( 5), was obtained. Parallel enzymatic studies on the CDO variant C93G were carried out with the abt substrate and show that reaction with O2

  描述了四种新的 FeII(N4S(thiolate)) 复合物作为硫醇双加氧酶模型的合成。它们由中性三齿配体三氮杂环壬烷 (R3TACN; R = Me, iPr) 和 2-氨基苯硫醇 (abtx; X = H, CF3) 的衍生物组成，后者是硫醇双加氧酶的非天然底物。这些配合物的配位数取决于 TACN 衍生物的身份，为 FeII(Me3TACN)(abtx)(OTf) 提供 6 配位（6-coord）配合物（1：X = H；2：X = ）和[FeII(iPr3TACN)(abtx)](OTf) (3: X = H; 4: X = ) 的 5-坐标 (5-coord) 配合物。配合物 1-4 通过 UV-vis、1H/19F NMR 和穆斯堡尔光谱检查，并采用密度泛函理论 (DFT) 计算来支持数据。穆斯堡尔光谱显示，6-coord 1-2 和 5-coord 3-4 表现出不同的光谱，并将这些数据与半胱氨酸结合的
• Synthesis and Biological Properties of Benzothiazole, Benzoxazole, and Chromen-4-one Analogues of the Potent Antitumor Agent 2-(3,4-Dimethoxyphenyl)-5-fluorobenzothiazole (PMX 610, NSC 721648)
  作者：Stefania Aiello、Geoffrey Wells、Erica L. Stone、Hachemi Kadri、Rana Bazzi、David R. Bell、Malcolm F. G. Stevens、Charles S. Matthews、Tracey D. Bradshaw、Andrew D. Westwell

  DOI：10.1021/jm800418z

  日期：2008.8.1

  New fluorinated 2-aryl-benzothiazoles, -benzoxazoles, and -chromen-4-ones have been synthesized and their activity against MCF-7 and MDA 468 breast cancer cell lines compared with the potent antitumor benzothiazole 5. Analogues such as 9a, b and 12a, d yielded submicromolar GI50 values in both cell lines; however, none of the new compounds approached 5 in terms of antitumor potency. For 5, binding

  已经合成了新的氟化的2-芳基-苯并噻唑，-苯并恶唑和-铬-4-酮，与有效的抗肿瘤苯并噻唑5相比，它们对MCF-7和MDA 468乳腺癌细胞系具有活性。 12a，d在两种细胞系中产生亚微摩尔GI 50值；然而，就抗肿瘤效力而言，新化合物均未达到5。对于5，似乎必须结合芳基烃受体，但不足以抑制生长。
• CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US20180002347A1

  公开（公告）日：2018-01-04

  An object of the present invention is to provide and develop novel agricultural and horticultural insecticides in view of the still immense damage caused by insect pests etc. and the emergence of insect pests resistant to existing insecticides in crop production in the fields of agriculture, horticulture and the like. Provided are a condensed heterocyclic compound represented by the general formula (1): wherein R 1 represents an ethyl group, R 2 represents a cycloalkyl group, R 3 represents a haloalkyl group, A, A 2 and A 3 each represent a nitrogen atom or a CH group, A 1 represents N-Me, m represents 0 or 2, and n represents 1} or a salt thereof; an agricultural and horticultural insecticide comprising the compound or a salt thereof as an active ingredient; and a method for using the insecticide.

  本发明的目的是针对农业、园艺等领域作物生产中由昆虫害等造成的巨大损害以及现有杀虫剂对昆虫害产生抗药性的现象，提供并开发新型农业和园艺杀虫剂。所提供的是一种由通式（1）表示的缩合杂环化合物：其中R1代表乙基基团，R2代表环烷基基团，R3代表卤代烷基基团，A、A2和A3各代表氮原子或CH基团，A1代表N-Me，m代表0或2，n代表1}或其盐；一种包含该化合物或其盐作为活性成分的农业和园艺杀虫剂；以及使用该杀虫剂的方法。
• Highly efficient synthesis of 2-mercaptobenzothiazole derivatives in water: metal sulfide–disulfide dynamic interchange reaction
  作者：Chunqing Lou、Ning Zhu、Ronghua Fan、Hailong Hong、Limin Han、Jianbin Zhang、Quanling Suo

  DOI：10.1039/c6gc03053j

  日期：——

  A convenient and efficient method for the synthesis of 2-mercaptobenzothiazoles from disulfide and CS2 mediated by metal sulfide in water is described. This synthetic methodology could be used to prepare...

  描述了一种方便有效的方法，该方法由金属硫化物在水中从二硫化物和CS2合成2-巯基苯并噻唑。这种综合方法可用于制备...