m-Methoxythiophenolat | 35337-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: m-Methoxythiophenolat
• 英文别名: 3-Methoxybenzenethiolate
• CAS: 35337-67-8
• 化学式: C₇H₇OS
• 分子量: 139.198
• InChiKey: QMVAZEHZOPDGHA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 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：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-3,5-二硝基吡啶 、 m-Methoxythiophenolat 以 甲醇 为溶剂， 生成 2-(3-methoxyphenyl)sulfanyl-3,5-dinitropyridine
  参考文献：
  名称：

  Nucleophilic substitution at the pyridine ring. Kinetics of the reaction of 2-chloro-3,5-dinitropyridine with arylthiolates in methanol

  摘要：

  The reaction rates of 2-chloro-3,5-dinitropyridine 1 with a series of arylthiolates 2a-h in methanol have been measured at 25 degrees C. The products are the corresponding 2-thioaryl-3,5-dinitropyridine 3a-h. Good Hammett correlation with rho Value -1.19 was obtained suggesting an elimination-addition mechanism SNAr and the formation of Meisenheimer-like intermediates. Plot of log k(2) vs. pK(a) values of arylthiols gave straight line with beta = 0.38 indicating that the Ti-bond breaking in the pyridine ring is so much advanced over bond making between the nucleophile and the carbon that bears the chlorine atom. Excellent correlation between log k(2) and log K (carbon basicity of arylthiolates) was obtained. (C) 1997 John Wiley & Sons. Inc.

  DOI：

  10.1002/(sici)1097-4601(1997)29:7<515::aid-kin5>3.0.co;2-x
• 作为产物：
  描述：

  1-(2,4-dinitro-phenylsulfanyl)-3-methoxy-benzene 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2,4-二硝基苯酚(1-) 、 m-Methoxythiophenolat
  参考文献：
  名称：

  Hamed, E. A.; El-Bardan, A. A.; Saad, Esmat F., Egyptian Journal of Chemistry, 2000, vol. 43, # 2, p. 177 - 186

  摘要：

  DOI：

文献信息

• Pyridine compounds which are useful in treating a disease state
  申请人：Hoffman-La Roche Inc.

  公开号：US04927838A1

  公开（公告）日：1990-05-22

  The invention relates to compounds of the formula ##STR1## wherein Y and Y' are hydrogen or taken together are O or S, *A is paraphenylene or *----(CH.sub.2).sub.n --(X).sub.s --(CH.sub.2).sub.r ----, X is O, S or --CH.dbd.CH--, n or r, independently, are integers from 0 to 3, m is an integer from 0 to 1, s is an integer from 0 to 1, provided that when s is 1, n+m must be at least 2, t is an integer from 0 to 10, R.sub.1 and R.sub.2, independently, are lower alkyl, lower alkenyl or aryl, or one of R.sub.1 or R.sub.2 is hydrogen and the other is ##STR2## wherein W is ##STR3## --CH.sub.2 --CH.sub.2 --, --CH.sub.2 --, O, S, or ##STR4## and X.sub.1 is lower alkyl, phenyl unsubstituted or mono-, di- or trisubstituted by lower alkoxy, lower alkyl or halogen, and X.sub.2, X.sub.3 and X.sub.4, independently, are hydrogen, lower alkyl, lower alkoxy or halogen, R.sub.3 is hydrogen, lower alkyl or aryl, R.sub.4 is hydrogen, lower alkyl, aryl, aryl-lower alkyl or acyl, R.sub.5 is hydrogen or lower alkyl, R.sub.6 is hydrogen, lower alkyl, cycloalkyl, Het-lower alkyl or aryl, Het is a monocyclic 6-membered heteroaromatic radical containing one or two nitrogen atoms, which radical may be substituted by lower alkyl, halogen or aryl, and the asterisk denotes the point of attachment, and when R.sub.5 and R.sub.6 are different, their enantiomers and racemic mixtures thereof, when R.sub.1 and R.sub.2 are different, their geometric isomers, and pharmaceutically acceptable acid addition salts thereof.

  本发明涉及公式##STR1##的化合物，其中Y和Y'为氢或一起取O或S，*A为对苯二甲基或*----（CH.sub.2).sub.n --(X).sub.s --(CH.sub.2).sub.r ----，X为O、S或--CH.dbd.CH--，n或r独立地为0至3的整数，m为0至1的整数，s为0至1的整数，但当s为1时，n+m必须至少为2，t为0至10的整数，R.sub.1和R.sub.2独立地为较低的烷基、较低的烯基或芳基，或R.sub.1或R.sub.2之一为氢，另一个为##STR2##其中W为##STR3## --CH.sub.2 --CH.sub.2 --，--CH.sub.2 --，O，S或##STR4##，X.sub.1为较低的烷基、未取代的苯基或被较低的烷氧基、较低的烷基或卤素单、二或三取代的苯基，X.sub.2、X.sub.3和X.sub.4独立地为氢、较低的烷基、较低的烷氧基或卤素，R.sub.3为氢、较低的烷基或芳基，R.sub.4为氢、较低的烷基、芳基、芳基-较低的烷基或酰基，R.sub.5为氢或较低的烷基，R.sub.6为氢、较低的烷基、环烷基、Het-较低的烷基或芳基，Het是一种含有一个或两个氮原子的单环6成员杂环芳基，该基团可以被较低的烷基、卤素或芳基取代，星号表示附着点，当R.sub.5和R.sub.6不同时，它们的对映异构体和外消旋混合物，当R.sub.1和R.sub.2不同时，它们的几何异构体，以及其药学上可接受的酸添加盐。
• Method for the production of alpha-(3-arylthio)-acetophenones
  申请人：Altmayer Marco

  公开号：US20070060776A1

  公开（公告）日：2007-03-15

  A process for preparing α-(3-arylthio)acetophenones of the general formula I in which the substituents R 1 and R 2 are each independently C 1 -C 6 -alkyl, SiR 3 3 where the substituent R 3 is a C 1 -C 6 -alkyl radical, or an optionally substituted phenyl or benzyl radical, which comprises reacting, in methanol acetophenones of the general formula II in which the substituent X is Cl or Br with a thiolate of the general formula III in which M is an alkali metal.

  一种制备一般式I中α-(3-芳基硫基)苯乙酮的方法，其中取代基R1和R2各自独立地为C1-C6烷基、SiR33，其中取代基R3为C1-C6烷基基团或可选取代的苯基或苄基基团，包括将一般式II中取代基X为Cl或Br的苯乙酮与一般式III中M为碱金属的硫醇酸盐在甲醇中反应。
• Nucleophilic substitution at the pyridine ring. Kinetics of the reaction of 2-chloro-3,5-dinitropyridine with arylthiolates in methanol
  作者：Ezzat A. Hamed

  DOI：10.1002/(sici)1097-4601(1997)29:7<515::aid-kin5>3.0.co;2-x

  日期：——

  The reaction rates of 2-chloro-3,5-dinitropyridine 1 with a series of arylthiolates 2a-h in methanol have been measured at 25 degrees C. The products are the corresponding 2-thioaryl-3,5-dinitropyridine 3a-h. Good Hammett correlation with rho Value -1.19 was obtained suggesting an elimination-addition mechanism SNAr and the formation of Meisenheimer-like intermediates. Plot of log k(2) vs. pK(a) values of arylthiols gave straight line with beta = 0.38 indicating that the Ti-bond breaking in the pyridine ring is so much advanced over bond making between the nucleophile and the carbon that bears the chlorine atom. Excellent correlation between log k(2) and log K (carbon basicity of arylthiolates) was obtained. (C) 1997 John Wiley & Sons. Inc.
• Hamed, E. A.; El-Bardan, A. A.; Saad, Esmat F., Egyptian Journal of Chemistry, 2000, vol. 43, # 2, p. 177 - 186
  作者：Hamed, E. A.、El-Bardan, A. A.、Saad, Esmat F.、Fathalla, Magda F.

  DOI：——

  日期：——