3-chloro-2-methylbenzenethiol | 53249-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 3-chloro-2-methylbenzenethiol
• 英文别名: 3-chloro-2-methyl-thiophenol
• CAS: 53249-76-6
• 化学式: C₇H₇ClS
• mdl: MFCD11111079
• 分子量: 158.652
• InChiKey: QDSPMTRKJURMOL-UHFFFAOYSA-N

物化性质

• 沸点：
  226.8±20.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-氯-2-乙基-1,2-苯并异噻唑鎓氯化物 、 3-chloro-2-methylbenzenethiol 在 1,1,2,2-四氯乙烷 作用下， 生成 3-(3-chloro-2-methyl-phenylsulfanyl)-benzo[d]isothiazole
  参考文献：
  名称：

  Boeshagen,H.; Geiger,W., Chemische Berichte, 1974, vol. 107, p. 1667 - 1675

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯-2-甲基苯磺酰氯 在 三苯基膦 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 生成 3-chloro-2-methylbenzenethiol
  参考文献：
  名称：

  [EN] INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP)
  [FR] INHIBITEURS DE LA PROTÉINE DE LIAISON AUX ACIDES GRAS (FABP)

  摘要：

  本发明涉及新型杂环化合物作为脂肪酸结合蛋白（"FABP"）抑制剂，包括该杂环化合物的药物组合物以及利用该化合物治疗或预防心血管疾病、代谢紊乱、肥胖或与肥胖相关的疾病、糖尿病、血脂异常、糖尿病并发症、糖耐量受损或空腹血糖受损的用途。本发明的一个示例化合物如下所示：（I）

  公开号：

  WO2010056631A1

文献信息

• [EN] SHP2 INHIBITORS<br/>[FR] INHIBITEURS DE SHP2
  申请人：IRBM S P A

  公开号：WO2021028362A1

  公开（公告）日：2021-02-18

  The present invention relates to new compounds capable of inhibiting the activity of SHP2 phosphatase, having the general Formula (I).

  本发明涉及一种能够抑制SHP2磷酸酶活性的新化合物，其具有一般式(I)。
• Phenylsulfonyl nitromethanes as aldose reductase inhibitors
  申请人：Imperial Chemical Industries PLC

  公开号：US05153227A1

  公开（公告）日：1992-10-06

  The invention concerns novel pharmaceutical compositions for use in the treatment of certain complications of diabetes and galactosemia and which contain a nitromethane derivative (or its non-toxic salt) as active ingredient. The nitromethane derivatives are inhibitors of the enzyme aldose reductase. Many of the inhibitors are novel and are provided, together with processes for their manufacture and use, as further features of the invention.

  这项发明涉及用于治疗糖尿病和半乳糖血症的某些并发症的新型药物组合物，其中包含硝基甲烷衍生物（或其无毒盐）作为活性成分。硝基甲烷衍生物是醛糖还原酶的抑制剂。许多抑制剂是新颖的，并且作为该发明的进一步特征，提供了它们的制造和使用过程。
• [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。
• Imidazoline derivatives for systemic combating of ectoparasites in host
  申请人：Hoechst Aktiengesellschaft

  公开号：US05128361A1

  公开（公告）日：1992-07-07

  The present invention relates to agents for systemic combating of ectoperasites in host animals, containing a compound of the formul I ##STR1## in which R.sup.1 denotes hydrogen, (C.sub.1 -C.sub.5)-alkyl, (C.sub.1 -C.sub.3)-halogenoalkyl or halogen; R.sup.2 and R.sup.3 independently of one another denote (c.sub.1 -C.sub.5)-alkyl, (C.sub.2 -C.sub.5)-alkenyl, (C.sub.2 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)-cycloalkyl, (C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl, halogen, cyano, nitro, (C.sub.1 -C.sub.5)-alkoxy, (C.sub.1 -C.sub.3)-alkoxy-C.sub.1 -C.sub.3)-alkyl, (C.sub.1 -C.sub.3)-halogenoalkoxy or (C.sub.1 -C.sub.3)-alkylthio, or R.sup.2 and R.sup.3 together form a polymethylene chain having 2 to 5 carbon atoms: R.sup.4 denotes hydrogen, (c.sub.1 -C.sub.10)-alkyl, (C.sub.2 -C.sub.5)-alkenyl or (C.sub.3 -C.sub.7)-cycloalkyl; R.sup.5 denotes hydrogen, (C.sub.1 -C.sub.10)-alkyl, (C.sub.3 -C.sub.5)-alkenyl, C.sub.3 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)- cycloalkyl, (C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl or (C.sub.1 -C.sub.3)-alkoxy-(C hd 1-C.sub.3)-alkyl; X denotes oxygen, sulfur or an --NR.sup.6 --group; and R.sup.6 denotes hydrogen, (C.sub.1 -C.sub.5)-alkyl, (C.sub.3 -C.sub.5)-alkenyl, C.sub.3 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)-cycloalkyl, C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl or (C.sub.1 -C.sub.3)-alkoxy-(C.sub.1 -C.sub.3)-alkyl, or biologically tolerated acid addition salts thereof. The compounds of the formulas I are novel in some cases and are likewise included in the invention.

  本发明涉及用于在宿主动物中系统对抗外寄生虫的药剂，含有以下式子的化合物：其中R.sup.1代表氢、(C.sub.1-C.sub.5)-烷基、(C.sub.1-C.sub.3)-卤代烷基或卤素；R.sup.2和R.sup.3独立地代表(C.sub.1-C.sub.5)-烷基、(C.sub.2-C.sub.5)-烯基、(C.sub.2-C.sub.5)-炔基、(C.sub.3-C.sub.7)-环烷基、(C.sub.3-C.sub.7)-环烯基、(C.sub.1-C.sub.3)-卤代烷基、卤素、氰基、硝基、(C.sub.1-C.sub.5)-氧烷基、(C.sub.1-C.sub.3)-氧烷基-(C.sub.1-C.sub.3)-烷基、(C.sub.1-C.sub.3)-卤代氧烷基或(C.sub.1-C.sub.3)-硫代烷基，或者R.sup.2和R.sup.3一起形成具有2到5个碳原子的聚亚甲基链；R.sup.4代表氢、(C.sub.1-C.sub.10)-烷基、(C.sub.2-C.sub.5)-烯基或(C.sub.3-C.sub.7)-环烷基；R.sup.5代表氢、(C.sub.1-C.sub.10)-烷基、(C.sub.3-C.sub.5)-烯基、C.sub.3-C.sub.5)-炔基、(C.sub.3-C.sub.7)-环烷基、(C.sub.3-C.sub.7)-环烯基、(C.sub.1-C.sub.3)-卤代烷基或(C.sub.1-C.sub.3)-氧烷基-(C.sub.1-C.sub.3)-烷基；X代表氧、硫或一个--NR.sup.6--基团；R.sup.6代表氢、(C.sub.1-C.sub.5)-烷基、(C.sub.3-C.sub.5)-烯基、C.sub.3-C.sub.5)-炔基、(C.sub.3-C.sub.7)-环烷基、C.sub.3-C.sub.7)-环烯基、(C.sub.1-C.sub.3)-卤代烷基或(C.sub.1-C.sub.3)-氧烷基-(C.sub.1-C.sub.3)-烷基，或其生物耐受的酸盐。这些式子的化合物在某些情况下是新颖的，并且也包括在本发明中。
• 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。