N-(4-甲基磺酰基-2-硝基苯基)乙酰胺 | 54029-50-4

• 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-(4-甲基磺酰基-2-硝基苯基)乙酰胺
• 英文名称: acetic acid-(4-methanesulfonyl-2-nitro-anilide)
• 英文别名: Essigsaeure-(4-methansulfonyl-2-nitro-anilid)；1-acetamido-4-methylsulfonyl-2-nitrobenzene；N-[4-(Methanesulfonyl)-2-nitrophenyl]acetamide；N-(4-methylsulfonyl-2-nitrophenyl)acetamide
• CAS: 54029-50-4
• 化学式: C₉H₁₀N₂O₅S
• 分子量: 258.255
• InChiKey: SIVNUUNPXWLKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4-甲基磺酰基-2-硝基苯基)乙酰胺 在 盐酸 作用下， 生成 2-硝基-4-甲砜基苯胺
  参考文献：
  名称：

  Larsson, Chalmers Tekniska Hoegskolas Handlingar, 1950, # 94, p. 3,6

  摘要：

  DOI：
• 作为产物：
  描述：

  4'-甲基磺酰乙酰苯胺 在 硝酸 作用下， 生成 N-(4-甲基磺酰基-2-硝基苯基)乙酰胺
  参考文献：
  名称：

  Larsson, Chalmers Tekniska Hoegskolas Handlingar, 1950, # 94, p. 3,6

  摘要：

  DOI：

文献信息

• 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04072696A1

  公开（公告）日：1978-02-07

  Carbalkoxythioureidobenzene derivatives represented by the following formula: ##STR1## where R is a lower alkyl group having 1 to 4 carbon atoms; R.sup.1 is --SR.sup.2, --SOR.sup.2, --SO.sub.2 R.sup.2, --OR.sup.2, --SCN, --SC(O)NR.sup.3 R.sup.4, or --M'(CH.sub.2).sub.n MR.sup.7 where n is 1-4; R.sup.2 is lower alkyl having 1 to 6 carbon atoms, cycloalkyl having 3 to 7 carbon atoms, lower alkenyl or lower alkynyl having 3 to 6 carbon atoms, aralkyl or aryl, provided that when R.sup.1 is --SO.sub.2 R.sup.2, R.sup.2 is not aralkyl or phenyl; R.sup.3 and R.sup.4 are independently hydrogen or lower alkyl having 1 to 6 carbon atoms; Y is amino, nitro, acylamino where the acyl portion has 1 to 6 carbon atoms, --NHC(O) (CH.sub.2).sub.m COOH where m is 1-6, or --NHC(S)NHCOOR; M and M' are independently O, S or ##STR2## and R.sup.7 is lower alkyl having 1 to 4 carbon atoms or aryl. The R.sup.1 substitution is either at the 4- or 5-position. The compounds are useful as pesticides, particularly as anthelmintic and antifungal agents.

  以下是该公式代表的Carbalkoxythioureidobenzene衍生物的中文翻译：其中R是具有1至4个碳原子的低碳基团；R.sup.1是--SR.sup.2，--SOR.sup.2，--SO.sub.2 R.sup.2，--OR.sup.2，--SCN，--SC(O)NR.sup.3 R.sup.4，或--M'(CH.sub.2).sub.n MR.sup.7，其中n为1-4；R.sup.2是具有1至6个碳原子的低碳基，具有3至7个碳原子的环烷基，具有3至6个碳原子的低烯基或低炔基，芳基烷基或芳基，但当R.sup.1为--SO.sub.2 R.sup.2时，R.sup.2不是芳基烷基或苯基；R.sup.3和R.sup.4独立地是氢或具有1至6个碳原子的低碳基；Y是氨基，硝基，酰胺基，其中酰基部分具有1至6个碳原子，--NHC(O) (CH.sub.2).sub.m COOH，其中m为1-6，或--NHC(S)NHCOOR；M和M'独立地是O，S或##STR2##，R.sup.7是具有1至4个碳原子的低碳基或芳基。R.sup.1取代物位于4-或5-位置。这些化合物可用作杀虫剂，特别是作为驱虫剂和抗真菌剂。
• Organic compound, crystal dielectric layer and capacitor
  申请人：Capacitor Sciences Incorporated

  公开号：US10026553B2

  公开（公告）日：2018-07-17

  The present disclosure provides an organic compound characterized by electronic polarizability and having a following general structural formula: where Core is an aromatic polycyclic conjugated molecule, R1 is group providing solubility of the organic compound in an organic solvent, n is 1, 2, 3, 4, 5, 6, 7 or 8, R2 is substitute located in apex positions, R3 and R4 are substitutes located in side (lateral) positions and, the core has flat anisometric form and the R2 substitutes are selected from hydrogen and electrophilic groups (acceptors) and R3 substitutes and R4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) or vice versa R3 substitutes and R4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) and R2 substitutes are selected from hydrogen and electrophilic groups (acceptors), and the substitutes R2, R3 and R4 cannot all be hydrogen.

  本公开提供了一种有机化合物，其特点是具有电子极化性，并具有以下结构通式： 其中 Core 是芳香族多环共轭分子，R1 是提供有机化合物在有机溶剂中溶解度的基团，n 是 1、2、3、4、5、6、7 或 8，R2 是位于顶点位置的取代基，R3 和 R4 是位于侧（横向）位置的取代基，并且、核心具有扁平异形，R2 取代基选自氢和亲电基团（受体），R3 取代基和 R4 取代基独立选自氢和亲核基团（供体），反之亦然，R3 取代基和 R4 取代基独立选自氢和亲核基团（供体），R2 取代基选自氢和亲电基团（受体），且取代基 R2、R3 和 R4 不能都是氢。
• Larsson, 1950, p. 3,7
  作者：Larsson

  DOI：——

  日期：——
• ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR
  申请人：Capacitor Sciences Incorporated

  公开号：US20170117097A1

  公开（公告）日：2017-04-27

  The present disclosure provides an organic compound characterized by electronic polarizability and having a following general structural formula: where Core is an aromatic polycyclic conjugated molecule, R 1 is group providing solubility of the organic compound in an organic solvent, n is 1, 2, 3, 4, 5, 6, 7 or 8, R 2 is substitute located in apex positions, R3 and R4 are substitutes located in side (lateral) positions and, the core has flat anisometric form and the R 2 substitutes are selected from hydrogen and electrophilic groups (acceptors) and R 3 substitutes and R 4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) or vice versa R 3 substitutes and R 4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) and R 2 substitutes are selected from hydrogen and electrophilic groups (acceptors), and the substitutes R 2 , R 3 and R 4 cannot all be hydrogen.
• US4002640A
  申请人：——

  公开号：US4002640A

  公开（公告）日：1977-01-11