N-甲基-4-(甲基硫代)苯甲胺 | 84212-03-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-甲基-4-(甲基硫代)苯甲胺
• 英文名称: 4-(Methylthio)-N-methylbenzenemethanamine
• 英文别名: N-methyl-1-(4-(methylthio)phenyl)methanamine；N-methyl-4-methylthiobenzylamine；methyl-(4-methylthiobenzyl)amine；N-Methyl-N-(4-methylthiobenzyl)amine；N-methyl-1-(4-methylsulfanylphenyl)methanamine
• CAS: 84212-03-3
• 化学式: C₉H₁₃NS
• mdl: MFCD04635885
• 分子量: 167.275
• InChiKey: YGDVLXUWGVDHAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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：

  N-甲基-4-(甲基硫代)苯甲胺 在 sodium tetrahydroborate 、 nickel dichloride 作用下， 以91%的产率得到N-甲基苄胺
  参考文献：
  名称：

  异喹啉合成中的甲硫基活化基团

  摘要：

  已发现甲硫基活化基团可提高六种不同异喹啉合成的收率：在四种情况下，未活化体系的提纯率从零提高到54％至94％。

  DOI：

  10.1039/c39840000127
• 作为产物：
  描述：

  4-(甲基巯基)苯甲醛 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 生成 N-甲基-4-(甲基硫代)苯甲胺
  参考文献：
  名称：

  分子氧和环己酮单加氧酶氧化仲胺

  摘要：

  来自钙乙酸不动杆菌的环己酮单加氧酶分别催化叔胺和仲胺氧化为N-氧化物和硝酮。羟胺中间体的形成与仲胺作为起始底物有关。

  DOI：

  10.1016/j.tet.2003.10.100

文献信息

• Metal-free hypervalent iodine/TEMPO mediated oxidation of amines and mechanistic insight into the reaction pathways
  作者：Ajay H. Bansode、Gurunath Suryavanshi

  DOI：10.1039/c8ra07451h

  日期：——

  A highly efficient metal free approach for the oxidation of primary and secondary amines to their corresponding aldehydes and ketones using PhI(OAc)2 in combination with a catalytic amount of TEMPO as an oxidizing agent is described. This protocol is rapid and provides diverse products under milder reaction conditions in excellent yields. In addition, the mechanistic study is well demonstrated by spectroscopic

  描述了使用 PhI(OAc) 2结合催化量的 TEMPO 作为氧化剂将伯胺和仲胺氧化成相应的醛和酮的高效无金属方法。该协议速度快，可在较温和的反应条件下以优异的收率提供多种产品。此外，光谱学方法很好地证明了机理研究。
• Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources
  作者：Kaushik Chakrabarti、Anju Mishra、Dibyajyoti Panja、Bhaskar Paul、Sabuj Kundu

  DOI：10.1039/c8gc00863a

  日期：——

  A Ru(II) complex mediated synthesis of various N,N-dimethyl and N-monomethyl amines from organic azides using methanol as a methylating agent is reported. This methodology was successfully applied for a one-pot reaction of bromide derivatives and sodium azide in methanol. Notably, by controlling the reaction time several N-monomethylated and N,N-dimethylated amines were synthesized selectively. The

  报道了使用甲醇作为甲基化剂，由有机叠氮化物介导的Ru（II）络合物介导的各种N，N-二甲基和N-单甲基胺的合成。该方法已成功应用于溴化物衍生物和叠氮化钠在甲醇中的一锅法反应。明显地，通过控制反应时间，几个N-单甲基化和N，N选择性合成-二甲基化胺。通过与不同有机叠氮化物的制备规模反应以及抗眩晕药倍他司汀的合成，揭示了该串联过程的实际适用性。进行了一些动力学实验和DFT研究，以了解这种转化的机理。
• Cardiotonics
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：US05198448A1

  公开（公告）日：1993-03-30

  Method for prophylaxis and treatment of heart diseases using a carbostyril derivative of formula: ##STR1## wherein R.sup.1 is H or CN, and R.sup.2 and R.sup.3 are each H, alkyl optionally substituted by OH, cycloalkyl, alkenyl, phenyl, phenylalkyl having optionally substituents of alkoxyalkoxy, halogen, alkoxy, NO.sub.2, alkyl, CN, alkylthio or alkylsulfinyl on phenyl ring and having optionally OH-substituent on alkyl moiety, phenylsulfonylalkyl having optionally alkoxy substituent on phenyl ring, phenylthioalkyl, phenylsulfinylalkyl having optionally substituents of halogen or alkoxy on phenyl ring, phenoxyalkyl having optionally substituents of halogen or alkoxy on phenyl ring, pyridylalkyl having optionally substituents of halogen or alkoxy on pyridine ring, thienylalkyl, benzoylalkyl, anilinothiocarbonyl, benzoyl, pyridyl, phenylalkenyl, or group of --A-NR.sup.4 R.sup.5 (R.sup.4 and R.sup.5 are each alkyl or phenyl having optionally substituents of halogen or alkoxy on phenyl ring, and A is alkylene which may be interrupted with O), and a salt thereof, and novel carbostyril derivatives, and pharmaceutical composition for prophylaxis and treatment of heart diseases containing said novel carbostyril derivative.

  本发明涉及使用公式为：##STR1##其中R.sup.1为H或CN，R.sup.2和R.sup.3分别为H，烷基（其上可选择性地取代为OH），环烷基，烯基，苯基，苯基烷基，其上可选择性地有取代基的烷氧基烷氧基，卤素，烷氧基，NO.sub.2，烷基，CN，烷硫基或烷基亚砜基，其在苯环上具有可选择性的OH取代基的烷基部分，苯基磺酰基烷基，其在苯环上具有可选择性的烷氧基取代基的苯基磺酰基烷基，苯基硫基烷基，苯基亚砜基烷基，其在苯环上具有可选择性的卤素或烷氧基取代基的苯基亚砜基烷基，苯氧基烷基，其在苯环上具有可选择性的卤素或烷氧基取代基的苯氧基烷基，吡啶基烷基，其在吡啶环上具有可选择性的卤素或烷氧基取代基，噻吩基烷基，苯甲酰基烷基，苯胺硫代氨基甲酰基，苯甲酰基，吡啶基，苯基烯基，或--A-NR.sup.4 R.sup.5（其中R.sup.4和R.sup.5分别为烷基或苯基，其在苯环上具有可选择性的卤素或烷氧基取代基，A为可用O中断的烷基），以及其盐的预防和治疗心脏疾病的方法，以及新的卡波斯蒂瑞尔衍生物和含有所述新的卡波斯蒂瑞尔衍生物的预防和治疗心脏疾病的药物组合物。
• Cardiotonic carbostyril agents for treating heart ailments
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：US05385914A1

  公开（公告）日：1995-01-31

  Method for prophylaxis and treatment of heart diseases using a carbostyril derivative-of formula: ##STR1## wherein R.sup.1 is H or CN, and R.sup.2 and R.sup.3 are each H, alkyl optionally substituted by OH, cycloalkyl, alkenyl, phenyl, phenylalkyl having optionally substituents of alkoxyalkoxy, halogen, alkoxy, NO.sub.2, alkyl, CN, alkylthio or alkylsulfinyl on phenyl ring and having optionally OH-substituent on alkyl moiety, phenylsulfonylalkyl having optionally alkoxy substituent on phenyl ring, phenylthioalkyl, phenylsulfinylalkyl having optionally substituents of halogen or alkoxy on phenyl ring, phenoxyalkyl having optionally substituents of halogen or alkoxy on phenyl ring, pyridylalkyl having optionally substituents of halogen or alkoxy on pyridine ring, thienylalkyl, benzoylalkyl, anilinothiocarbonyl, benzoyl, pyridyl, phenylalkenyl, or group of --A--NR.sup.4 R.sup.5 (R.sup.4 and R.sup.5 are each alkyl or phenyl having optionally substituents of halogen or alkoxy on phenyl ring, and A is alkylene which may be interrupted with O), and a salt thereof, and novel carbostyril derivatives, and pharmaceutical composition for prophylaxis and treatment of heart diseases containing said novel carbostyril derivative.

  使用一种羧基苯基吡啶衍生物的方法预防和治疗心脏疾病，其化学式为：##STR1## 其中R.sup.1为H或CN，R.sup.2和R.sup.3分别为H，烷基（可选用OH取代），环烷基，烯基，苯基，苯基烷基，在苯环上可选地带有烷氧基烷氧基，卤素，烷氧基，NO.sub.2，烷基，CN，烷硫基或烷基磺酰基取代基，并在烷基部分上可选地带有OH取代基，苯基磺酰基烷基，在苯环上可选地带有烷氧基取代基，苯基硫基烷基，苯基磺酰基烷基，在苯环上可选地带有卤素或烷氧基取代基，苯氧基烷基，在苯环上可选地带有卤素或烷氧基取代基，吡啶基烷基，在吡啶环上可选地带有卤素或烷氧基取代基，噻吩基烷基，苯甲酰基烷基，苯胺基硫代羰基，苯甲酰基，吡啶基，苯基烯基，或--A--NR.sup.4 R.sup.5（其中R.sup.4和R.sup.5分别为烷基或苯基，苯环上可选地带有卤素或烷氧基取代基，A为可用O中断的烷基），及其盐，以及用于预防和治疗心脏疾病的新型羧基苯基吡啶衍生物和制药组合物。
• Method of treating congestive heart failure using carbostyril derivatives
  申请人：Otsuka Pharmaceutical Company Ltd.

  公开号：US05266577A1

  公开（公告）日：1993-11-30

  Method for the treatment of congestive heart failure or paroxymal frequent heart pulse using a carbostyril derivative of formula: ##STR1## wherein R.sup.1 is H or CN, and R.sup.2 and R.sup.3 are each H, alkyl optionally substituted by OH, cycloalkyl, alkenyl, phenyl, phenylalkyl having optionally substituents of alkoxyalkoxy, halogen, alkoxy, NO.sub.2, alkyl, CN, alkylthio or alkylsulfinyl on phenyl ring and having optionally OH-substituent on alkyl moiety, phenylsulfonylalkyl having optionally alkoxy substituent on phenyl ring, phenylthioalkyl, phenylsulfinylalkyl having optionally substituents of halogen or alkoxy on phenyl ring, phenoxyalkyl having optionally substituents of halogen or alkoxy on phenyl ring, pyridylalkyl having optionally substituents of halogen or alkoxy on pyridine ring, thienylalkyl, benzoylalkyl, anilinothiocarbonyl, benzoyl, pyridyl, phenylalkenyl, or group of -A-NR.sup.4 R.sup.5 (R.sup.4 and R.sup.5 are each alkyl or phenyl having optionally substituents of halogen or alkoxy on phenyl ring, and A is alkylene which may be interrupted with O), and a salt thereof, and novel carbostyril derivatives, and pharmaceutical composition for prophylaxis and treatment of heart diseases containing said novel carbostyril derivative.

  使用公式式的carbostyril衍生物治疗充血性心力衰竭或阵发性频繁心跳的方法，其中公式为：##STR1##其中R.sup.1为H或CN，R.sup.2和R.sup.3分别为H，烷基，可选地被OH取代的环烷基，烯基，苯基，苯基烷基，其在苯环上具有可选的alkoxyalkoxy，卤素，alkoxy，NO.sub.2，烷基，CN，alkylthio或alkylsulfinyl取代基，并在烷基部分上具有可选的OH取代基，苯基磺酰基烷基，在苯环上具有可选的alkoxy取代基，苯基硫代烷基，苯基亚砜基烷基，在苯环上具有可选的卤素或alkoxy取代基，苯氧基烷基，在苯环上具有可选的卤素或alkoxy取代基，吡啶基烷基，在吡啶环上具有可选的卤素或alkoxy取代基，噻吩基烷基，苯甲酰基烷基，苯胺基硫代羰基，苯甲酰基，吡啶基，苯基烯基，或-A-NR.sup.4 R.sup.5（其中R.sup.4和R.sup.5分别为烷基或苯基，在苯环上具有可选的卤素或alkoxy取代基，A为可以被O中断的烷基），以及其盐，以及用于预防和治疗心脏疾病的新型carbostyril衍生物和制药组合物。