2-甲基硫代吗啉 | 3970-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 2-甲基硫代吗啉
• 英文名称: methyl-2 thiomorpholine-1,4
• 英文别名: 2-methylthiomorpholine；3-Methyl-1,4-thiazane；2-methyl-thiomorpholine；2-Methyl-thiomorpholin；2-Methylthiomorpholin
• CAS: 3970-88-5
• 化学式: C₅H₁₁NS
• mdl: MFCD11137727
• 分子量: 117.215
• InChiKey: MHHCLPHGZOISFK-UHFFFAOYSA-N

物化性质

• 沸点：
  163 °C
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲基硫代吗啉 在 sodium hydroxide 作用下， 生成 2,4-dimethoxy-6-(2-methyl-thiomorpholin-4-yl)-[1,3,5]triazine
  参考文献：
  名称：

  Zur Kenntnis der Reaktionsf�higkeit alkylsubstituierter Thiomorpholine, 1. Mitt.

  摘要：

  DOI：

  10.1007/bf00911153
• 作为产物：
  描述：

  3-methyl-2-oxo-1,4-thiazane 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 2-甲基硫代吗啉
  参考文献：
  名称：

  Conformational analysis of methylthiazanes: the problem of the methyl-carbon-nitrogen-methyl gauche interaction

  摘要：

  The position of conformational equilibria in 2- and 3-methyl-1,4-thiazanes and cis- and trans-2,3-dimethyl-1,4-thiazanes, their N-methyl derivatives, and several of the corresponding sulfoxides and sulfones have been measured. The DELTAG-degrees values for the methyl groups are generally in agreement with what one would expect on the basis of known conformational equilibria in methylthianes, methylpiperidines, and N-methylated homologs of the latter; however, the differences in DELTAG-degrees between the 2-methyl and N,2-dimethyl homologs are even larger than in the piperidine series. An explanation for these differences is based on MM3 force field calculations of molecular geometry. The sulfoxide and sulfone data throw light on SO/H and SO/Me syn-axial as well as SO/Me gauche interactions.

  DOI：

  10.1021/jo00067a023

文献信息

• Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040220169A1

  公开（公告）日：2004-11-04

  The present invention relates to new substituted carboxylic acid amides of general formula 1 wherein A, B and R 1 to R 5 are defined as in claim 1, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties. The compounds of the above general formula I as well as the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, and their stereoisomers have valuable pharmacological properties, particularly an antithrombotic activity and a factor Xa-inhibiting activity.

  本发明涉及一般式1的新取代羧酸酰胺，其中A、B和R1至R5如权利要求1中所定义，其互变异构体、对映异构体、非对映异构体、它们的混合物及其盐，特别是其与无机或有机酸或碱的生理上可接受的盐，具有有价值的性质。 上述一般式I的化合物以及其互变异构体、对映异构体、非对映异构体、它们的混合物及其盐，特别是其与无机或有机酸或碱的生理上可接受的盐，及其立体异构体具有有价值的药理学性质，特别是抗血栓活性和Xa因子抑制活性。
• [EN] 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-AMINO-INDOLE 3-SUBSTITUÉS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015198045A1

  公开（公告）日：2015-12-30

  The present invention provides compounds of formula (I) (Formula (I)) and pharmaceutically acceptable salts thereof, wherein Q, X% X4,X5 X6, X7,R1, R2, R3 and R8 are as defined in the specification, processes for the preparation of such compounds, pharmaceutical compositions containing them and the use of such compounds in therapy.

  本发明提供了公式(I)（公式(I)）的化合物及其药用可接受的盐，其中Q，X，X4，X5，X6，X7，R1，R2，R3和R8如说明书中所定义，这些化合物的制备方法，包含它们的药物组合物以及这些化合物在治疗中的用途。
• CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Gillard James

  公开号：US20080132496A1

  公开（公告）日：2008-06-05

  Substituted carboxylic acid amides of general formula wherein A, B, and R 1 to R 5 are as defined herein, and the tautomers and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties, such as antithrombotic activity and factor Xa-inhibiting activity.

  通式为的取代羧酸酰胺，其中A、B和R1至R5的定义如本文所述，以及它们的互变异构体和盐，特别是与无机或有机酸或碱的生理上可接受的盐，具有有价值的性质，如抗血栓活性和Xa因子抑制活性。
• Crozet, Michel P.; Kaafarani, Mustapha; Surzur, Jean-Marie, Bulletin de la Societe Chimique de France, 1984, vol. 2, # 9-10, p. 390 - 398
  作者：Crozet, Michel P.、Kaafarani, Mustapha、Surzur, Jean-Marie

  DOI：——

  日期：——
• Sulfamylurea Hypoglycemic Agents. I. Synthesis and Screening
  作者：J. M. McManus、J. W. McFarland、C. F. Gerber、W. M. McLamore、G. D. Laubach

  DOI：10.1021/jm00330a009

  日期：1965.11