formic acid-(2-chloro-N-methyl-anilide) | 14924-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: formic acid-(2-chloro-N-methyl-anilide)
• 英文别名: Ameisensaeure-(2-chlor-N-methyl-anilid)；N-(2-Chlorophenyl)-N-methylformamide
• CAS: 14924-76-6
• 化学式: C₈H₈ClNO
• 分子量: 169.611
• InChiKey: QYDQIYHTJLHBDU-UHFFFAOYSA-N

物化性质

• 沸点：
  276.1±23.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  formic acid-(2-chloro-N-methyl-anilide) 在 草酰氯 作用下， 生成 [1-Chloro-meth-(E)-ylidene]-(2-chloro-phenyl)-methyl-ammonium; chloride
  参考文献：
  名称：

  Cheng, Ying; Goon, Simon; Meth-Cohn, Otto, Journal of the Chemical Society. Perkin transactions I, 1998, # 10, p. 1619 - 1625

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-N-甲基苯胺 生成 formic acid-(2-chloro-N-methyl-anilide)
  参考文献：
  名称：

  Grammaticakis, Bulletin de la Societe Chimique de France, 1949, p. 761,764

  摘要：

  DOI：

文献信息

• Direct synthesis of 2-substituted benzonitriles <i>via</i> alkylcyanation of arynes with <i>N</i>,<i>N</i>-disubstituted aminomalononitriles
  作者：Wen Bao、Zhu-Peng Gao、Da-Ping Jin、Cao-Gen Xue、Huan Liang、Ling-Sheng Lei、Xue-Tao Xu、Kun Zhang、Shao-Hua Wang

  DOI：10.1039/d0cc01591a

  日期：——

  An efficient alkylcyanation of in situ generated arynes by N,N-disubstituted aminomalononitriles is described, enabling the direct synthesis of 2-substituted benzonitriles.

  描述了通过N，N-二取代的氨基丙二腈对原位生成的芳烃的有效烷基氰化，从而能够直接合成2-取代的苄腈。
• The synthesis of cyanoformamides <i>via</i> a CsF-promoted decyanation/oxidation cascade of 2-dialkylamino-malononitriles
  作者：Lin-Sheng Lei、Cao-Gen Xue、Xue-Tao Xu、Da-Ping Jin、Shao-Hua Wang、Wen Bao、Huan Liang、Kun Zhang、Abdullah M. Asiri

  DOI：10.1039/c9ob00510b

  日期：——

  A mild and efficient method for the synthesis of cyanoformamides from N,N-disubstituted aminomalononitriles with CsF as the promoter has been developed. This method features a wide substrate scope and high reaction efficiency, and will facilitate corresponding cyanoformamide-based biological studies and synthetic methodology development.

  已经开发了一种温和而有效的方法，该方法以CsF为促进剂，从N，N-二取代的氨基丙二腈合成氰基甲酰胺。该方法具有广泛的底物范围和高的反应效率，并将促进相应的基于氰基甲酰胺的生物学研究和合成方法的发展。
• A Simple One-Pot Reaction to the Bis-dibenzo[<i>b,f</i>][1,5]diazocines: Useful Precursors­ of Novel Macrocycles
  作者：Ying Cheng、Bo Wang、Otto Meth-Cohn

  DOI：10.1055/s-2003-42448

  日期：——

  The title compounds, namely 8,8'-bis-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocines, have been synthesized in 36-81% yields through a one-pot reaction by treatment of N,N,N',N'-tetramethylbiphenyldiamine with the Vilsmeier's reagents derived from substituted N-methylformanilides and POCl 3 . This was another application of 't-amino effect' in the synthesis of eight-membered ring systems. These products

  标题化合物，即 8,8'-bis-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocines，通过一锅法反应合成，收率 36-81% N,N,N',N'-四甲基联苯二胺与 Vilsmeier 试剂衍生自取代的 N-甲基甲酰苯胺和 POCl 3 。这是“t-氨基效应”在八元环系统合成中的另一种应用。这些产品被设计为新型大环化合物的前体。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl 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2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。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酸性快速细菌具有优异的杀菌作用。
• 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。