2-methoxy-3-chlorophenyl thiol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 2-methoxy-3-chlorophenyl thiol
• 英文别名: 3-chloro-2-methoxy-thiophenol；3-Chloro-2-methoxybenzene-1-thiol；3-chloro-2-methoxybenzenethiol
• 化学式: C₇H₇ClOS
• 分子量: 174.651
• InChiKey: GXICBBTXEUYAGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-3-chlorophenyl thiol 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 三溴化硼 作用下， 以 甲苯 为溶剂， 反应 17.5h， 生成 2-chloro-6-(3-fluoro-phenylsulfanyl)-phenol
  参考文献：
  名称：

  The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors

  摘要：

  Elevation of glycine levels by inhibition of the glycine transporter-1 (GlyT-1) and activation of the NMDA receptor is a potential strategy for the treatment of schizophrenia. A novel series of 2-arylsulfanylphenyl-1-oxyalkyl amino acids have been identified. The most prominent member of this series S-1-{2-[3-(3-fluoro-phenylsulfanyl)biphenyl-4-yloxy]ethyl} pyrrolidine-2-carboxylic acid (38) is a potent GlyT-1 inhibitor (IC50 = 59 nM). In vitro and in vivo assessment of CNS exposure indicates this compound is a likely substrate for active efflux transporters. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.017

文献信息

• [EN] 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSES 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2005042542A1

  公开（公告）日：2005-05-12

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1)in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and -(CH2)nR2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30)and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下一般式表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物：(1)在上述式(1)中，R1代表氢原子或C1-C6烷基，n代表0至6的整数，R1和-(CH2)nR2可以与下面的式(30)一起形成一个螺环，与相邻的碳原子一起（在下面的式中，RRR代表可能在哌啶环上具有取代基的哌啶基），(30)和R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似物。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型耐酸细菌具有出色的杀菌作用。
• Application of Polystyrene Bound Ethoxymethyl (PEOM) Chloride in the Solid­-Phase Synthesis of Substituted 1-Methyl-1<i>H</i>-Indoles
  作者：Thomas Ruhland、Henrik Pedersen、Kim Andersen

  DOI：10.1055/s-2003-42086

  日期：——

  A novel linker for the solid-phase synthesis of substituted 1-methylindoles has been developed. The linker is stable under strong basic conditions and compatible with a broad range of chemical transformations as demonstrated by electrophilic and nucleophilic substitution reactions in the 2-position of the indole nucleus. Indoles are cleaved under reductive conditions by use of alane resulting in 1-methylindole

  已开发出一种用于固相合成取代的 1-甲基吲哚的新型接头。该接头在强碱性条件下是稳定的，并且与广泛的化学转化相容，如吲哚核 2 位中的亲电和亲核取代反应所证明的那样。吲哚在还原条件下通过使用丙烷裂解产生 1-甲基吲哚衍生物。吲哚部分的敏感官能团如醛、酮、酯、亚胺和酰胺同时被还原。
• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。
• De‐risking S‐F bond formation:A gas cylinder‐free strategy to access S(IV) and S(VI) fluorinated compounds.
  作者：Reza Kordnezhadian、Armir Zogu、Carlotta Borgarelli、Ruben Van Lommel、Joachim Demaerel、Wim M. De Borggraeve、Ermal Ismalaj

  DOI：10.1002/chem.202300361

  日期：——

  Herein we report the oxidative halogenation of thiols via the ex situ generation of chlorine by employing calcium hypochorite as solid bench-stable precursor. This approach enables the synthesis of three distinct classes of compounds (R-SF3, RSO2F and RSF4Cl). Metastable R-SF4Cl intermediates are further postfunctionalized to access structures of higher complexity, and computational analysis elucidate

  在此，我们报道了使用次氯酸钙作为固体工作台稳定前体，通过异位产生氯来氧化卤化硫醇。这种方法能够合成三种不同类别的化合物（R-SF 3、RSO 2 F 和 RSF 4 Cl）。亚稳态 R-SF 4 Cl 中间体进一步后官能化以获得更复杂的结构，计算分析阐明了导致某些杂芳族 SF 4 Cl 结构顺式选择性的潜在途径。
• 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1678185B1

  公开（公告）日：2008-10-08