4-甲基疏基苯胺盐酸盐 | 39870-00-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-甲基疏基苯胺盐酸盐
• 英文名称: 4-(methylthio)aniline hydrochloride
• 英文别名: 4-(Methylmercapto)aniline hydrochloride；4-methylsulfanylaniline;hydrochloride
• CAS: 39870-00-3
• 化学式: C₇H₉NS*ClH
• 分子量: 175.682
• InChiKey: KJEMNQKJPWKBON-UHFFFAOYSA-N

物化性质

• 熔点：
  260-261 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 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：
  51.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4-甲基疏基苯胺盐酸盐 在 盐酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 生成 [4-(甲硫基)苯基]肼
  参考文献：
  名称：

  Structure-activity relationships of antimalarial indolo[3,2-c]quinolines [1, 2]

  摘要：

  Structure-activity relationships have been ascertained and chemical methodology developed for a series of antimalarial 3-chloroindolo[3,2-c]quinoline-5-oxides. The basic side chain as well as the ring N-oxide are critical for antimalarial activity as is a bromine or chlorine in position 3. Substitution at positions 7, 8, 9, 10 is not essential, although the most potent analog in our studies was the 8-nitro compound 4vv.

  DOI：

  10.1016/0223-5234(93)90036-e
• 作为产物：
  描述：

  4-氨基茴香硫醚 在 盐酸 作用下， 生成 4-甲基疏基苯胺盐酸盐
  参考文献：
  名称：

  Syntheses, structures and characterizations of two organoimido derivatives of POMs containing sulfide groups

  摘要：

  Two remote methylthio group functionalized organoimido derivatives of hexamolybdate, (Bu4N)(2)[Mo6O18(NC6H4-SCH3-p)] (1) and (Bu4N)(2)[Mo6O18(NC6H4-SCH3-m)] (2), were synthesized through the refluxing reaction of octamolybdates, the hydrochloride salts of corresponding organic amines in anhydrous acetonitrile with dicyclohexylcarbodiimide (DCC) as dehydration agent. They are characterized by single crystal X-ray diffraction, FT-IR spectra, UV-Vis spectra, elemental analysis, H-1 NMR and cyclic voltammetry. X-ray structural study reveals that anion clusters of both compounds possess some typical structural features of mono-substituted hexamolybdate, and their anion clusters are connected into two dimensional network via intermolecular multiple C-H center dot center dot center dot O hydrogen bonds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.02.010

文献信息

• Deoxygenation of Nitrous Oxide and Nitro Compounds Using Bis(N‐Heterocyclic Silylene)Amido Iron Complexes as Catalysts
  作者：Xi Chen、Hao Wang、Shaozhi Du、Matthias Driess、Zhenbo Mo

  DOI：10.1002/anie.202114598

  日期：2022.2.7

  The efficient catalytic degradation of N2O to N2 by well-defined bis(silylene)amido iron complexes under mild conditions involving the cooperative effect between the iron and silylene ligands is reported. Selective reductions of nitro compounds to amino-boranes with good functional-group tolerance and excellent chemo-selectivity have been developed using the same approach.

  报道了在温和条件下通过明确的双（亚硅基）氨基铁络合物将 N 2 O高效催化降解为 N 2 ，这涉及铁和亚硅基配体之间的协同作用。已经使用相同的方法开发了将硝基化合物选择性还原为具有良好官能团耐受性和优异化学选择性的氨基硼烷。
• 5-PHENYL-2-FURAMIDOXIMES
  申请人：Morton-Norwich Products, Inc.

  公开号：US03946049A1

  公开（公告）日：1976-03-23

  A series of 5-phenyl-2-furamidoximes are useful as antidepressants.

  一系列的5-苯基-2-呋喃肟类化合物可作为抗抑郁药物。
• Synthesis of Quinobenzo-1,4-thiazines from Diquino-1,4-dithiin and 2,2’-Dichloro-3,3’-diquinolinyl Disulfide
  作者：Krystian Pluta、Małgorzata Jeleń

  DOI：10.3987/com-09-11736

  日期：——

  10-substituted quinobenzo-1,4-thiazines (benzo[b]-1-azaphenothiazines) (5) and (10), has been worked out from diquino-1,4-dithiin (5,12-diaza-6,13-dithiapentacene) (2) as fusion reactions with aniline hydrochlorides (8)·HCl via the 1,4-dithiin ring opening and the 1,4-thiazine ring closure. The better results were obtained when 2,2'-dichloro-3,3'-diquinolinyl disulfide (9) reacted with anilines (8) in MEDG

  合成新型四环氮杂吩噻嗪，6-, 8-, 9- 和 10-取代的 quinobenzo-1,4-thiazines (benzo[b]-1-azaphenothiazines) (5) 和 (10), 从diquino-1,4-dithiin (5,12-diaza-6,13-​​dithiapentacene) (2) 通过 1,4-dithiin 开环和 1,4-thiazine 与盐酸苯胺 (8)·HCl 发生融合反应闭环。当 2,2'-二氯-3,3'-二喹啉基二硫化物 (9) 与苯胺 (8) 在 MEDG 中反应时，获得了更好的结果。选择的 6H-quinobenzo-1,4-thiazines (5a) (5c) 和 (5g) 通过使用烷基卤化物的 N-烷基化转化为 6-烷基衍生物 (10a-10n)。6-甲基衍生物（10a）的同核NOE实验证实产物结构为醌[3,2-b]苯并[1,4]噻嗪。
• Process for the preparation of tetrazole derivatives
  申请人：ZENECA LIMITED

  公开号：EP0495626A1

  公开（公告）日：1992-07-22

  A compound of formula VI wherein Q is selected from (substituted) 4-quinolyloxy, (substituted) 4-pyridyloxy and substituted 1-imidazolyl; Y¹ is selected from hydrogen, (1-4C)alkyl, (1-4C)alkoxy, halogeno, (1-4C)alkanoyl, trifluoromethyl, cyano and nitro; Y² is selected from hydrogen, (1-4C)alkyl, (1-4C)alkoxy, halogeno, trifluoromethyl, cyano and nitro; and P¹ is an electron-deficient phenyl group or a pyridyl or pyrimidyl group, is reacted with a base selected from an alkali metal hydroxide, (1-12C)alkanolate, (1-12C)alkanethiolate, phenolate, thiophenolate and diphenylphosphide, wherein any phenyl ring of the latter three groups may optionally bear a (1-4C)alkyl, (1-4C)alkoxy or halogeno substituent; to give a compound of formula IV wherein Q, Y¹ and Y² have any of the meanings defined above. The compounds of formula IV are angiotensin II inhibitors.

  化合物VI的式子，其中Q选择自（取代的）4-喹诺氧基，（取代的）4-吡啶氧基和取代的1-咪唑基; Y¹选择自氢，（1-4C）烷基，（1-4C）烷氧基，卤素，（1-4C）酰基，三氟甲基，氰基和硝基; Y²选择自氢，（1-4C）烷基，（1-4C）烷氧基，卤素，三氟甲基，氰基和硝基; P¹是电子不足的苯基或吡啶基或嘧啶基，与从碱金属氢氧化物，（1-12C）烷基醇盐，（1-12C）烷硫醇盐，苯酚盐，硫苯酚盐和二苯基膦选择的碱基反应，其中后三个基团的任何苯环可以选择性地带有（1-4C）烷基，（1-4C）烷氧基或卤素取代基; 得到式子IV的化合物，其中Q，Y¹和Y²具有上述定义的任何含义。式子IV的化合物是血管紧张素II抑制剂。
• Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines
  作者：James L. Kelley、James A. Linn、J. W. T. Selway

  DOI：10.1021/jm00167a012

  日期：1990.5

  A series of 6-anilino-9-benzyl-2-chloropurines was synthesized and tested for antirhinovirus activity. Most of the compounds were prepared by reaction of the appropriate aniline with 9-benzyl-2,6-dichloro-9H-purine. Structure-activity relationship studies revealed that compounds with small, lipophilic para substituents were good inhibitors of serotype 1B. Several compounds had good activity against four representative serotypes.