3-Nitro-benzolsulfonsaeure-p-toluidid | 4284-46-2

• 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: 3-Nitro-benzolsulfonsaeure-p-toluidid
• 英文别名: 3-Nitro-benzolsulfon-N-(4-tolyl)-amid；3-nitro-benzenesulfonic acid p-toluidide；N-(4-Methylphenyl)-3-nitrobenzenesulfonamide
• CAS: 4284-46-2
• 化学式: C₁₃H₁₂N₂O₄S
• mdl: MFCD00625665
• 分子量: 292.315
• InChiKey: ORIAXWVUHQXKKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Nitro-benzolsulfonsaeure-p-toluidid 在 盐酸 、 sodium hydroxide 、 硫酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 acetic acid-[3-(5-methyl-2-methylamino-benzenesulfonyl)-anilide]
  参考文献：
  名称：

  Witt; Truttwin, Chemische Berichte, 1914, vol. 47, p. 2789,2794

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烷,三氯氟- 、 3-硝基苯磺酰氯 以 丙醇 为溶剂， 生成 3-Nitro-benzolsulfonsaeure-p-toluidid
  参考文献：
  名称：

  Kustova; Kuritsyn, Russian Journal of General Chemistry, 1998, vol. 68, # 4, p. 604 - 606

  摘要：

  DOI：

文献信息

• Gerasimova,T.N. et al., Journal of Organic Chemistry USSR (English Translation), 1965, vol. 1, p. 1690 - 1694
  作者：Gerasimova,T.N. et al.

  DOI：——

  日期：——
• Chattaway, Journal of the Chemical Society, 1904, vol. 85, p. 1186
  作者：Chattaway

  DOI：——

  日期：——
• [EN] BIOMOLECULE BINDING LIGANDS<br/>[FR] LIGANDS SE LIANT À DES BIOMOLÉCULES
  申请人：CAMBRIDGE ENTPR LTD

  公开号：WO2009007676A2

  公开（公告）日：2009-01-15

  The invention provides biomolecule binding ligands, collections of biomolecule binding ligands, and their use in the purification of biological mixtures and in the identification of ligands having an affinity for a substance. The ligand is a compound of formula (III) or a compound of formula (IV): wherein for compounds of formula (I) one of R1a, R1b,R2, R3 and R4 is a group comprising a linker attached to a support, and the others of R1a, R1b,R2, R3 and R4 are independently selected from optionally substituted C1-20 alkyl, optionally substituted C3-20 heterocyclyl or optionally substituted C5-20 aryl, and R1a, R1b and R2 are additionally selected from hydrogen, and R2 is additionally further selected from -S(=O)R5 and -C(=S)NR6R7, wherein R5, R6 and R7 are independently optionally substituted C1-20 alkyl, optionally substituted C3-20 heterocyclyl or optionally substituted C5-20 aryl, or, optionally, two or more of the others of R1a, R1b,R2, R3 and R4, together with the atoms to which they are bound, may form a ring; and for compounds of formula (II) one of R1a, R1b, R3 and R4 is a group comprising a linker attached to a support, and the others of R1a, R1b, R3 and R4 are independently selected optionally substituted C1-20 alkyl, optionally substituted C3-20 heterocyclyl or optionally substituted C5-20 aryl, and R1a, and R1b are additionally selected from hydrogen, or, optionally, two or more of the others of R1a, R1b, R3 and R4, together with the atoms to which they are bound, may form a ring.
• Kustova; Kuritsyn, Russian Journal of General Chemistry, 1998, vol. 68, # 4, p. 604 - 606
  作者：Kustova、Kuritsyn

  DOI：——

  日期：——
• Witt; Truttwin, Chemische Berichte, 1914, vol. 47, p. 2789,2794
  作者：Witt、Truttwin

  DOI：——

  日期：——