N,N-二甲基-8-硝基-1-萘胺 | 10273-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: N,N-二甲基-8-硝基-1-萘胺
• 英文名称: N,N-dimethyl-8-nitro-1-naphthaleneamine
• 英文别名: 8-(dimethylamino)-1-nitronaphthalene；1-dimethylamino-8-nitronaphthalene；dimethyl-(8-nitro-[1]naphthyl)-amine；Dimethyl-(8-nitro-[1]naphthyl)-amin；8-Nitro-1-dimethylamino-naphthalin；Ntro-N,N-dimethylnaphtalin；1-Naphthalenamine, N,N-dimethyl-8-nitro-；N,N-dimethyl-8-nitronaphthalen-1-amine
• CAS: 10273-29-7
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: WWBMBSSKMPMTRW-UHFFFAOYSA-N

物化性质

• 熔点：
  75 °C
• 沸点：
  336.6±22.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2921450090

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-8-硝基-1-萘胺 在 palladium on activated charcoal 甲酸 、 三乙胺 作用下， 生成 N1,N1-dimethylnaphthalene-1,8-diamine
  参考文献：
  名称：

  功能组之间的相互作用第四部分。在重取代的萘和喹啉衍生物中四个重氮基团对相邻的富电子原子的响应

  摘要：

  四个被周围取代的萘-1-重氮阳离子均显示出在周围取代基的富电子原子与重氮基团的α-N原子之间的短暂吸引相互作用。这些被解释为对NN键的初期亲核攻击的模型。与NO 2基团相比，重氮基团是更好的电子密度“穿透空间”受体，这与它们的相对“穿透-σ-键”感应效应平行。

  DOI：

  10.1002/hlca.19930760402
• 作为产物：
  描述：

  N,N-二甲基-1-萘胺 在 硫酸 作用下， 生成 N,N-二甲基-8-硝基-1-萘胺
  参考文献：
  名称：

  A comparative study between excess-dose users and regular-dose users of rhubarb contained in Kampo medicines

  摘要：

  With prolonged use of rhubarb-containing Kampo medicines, some patients come to ask for highdose rhubarb because of deteriorated reactivity to rhubarb. We divided patients into two groups in terms of rhubarb-dose, and compared clinical backgrounds between regular-dose group and excess-dose group. Patients who were treated with rhubarb-containing Kampo extracts (manufactured prescriptions) or Kampo formulae (decoctions) for more than 12 months were enrolled. These two groups were compared for age, sex, shape of stool, abdominal symptoms, existence of hemorrhoids, Kampo diagnosis of abdomen, past stimulant laxative use, duration of stimulant laxative use before the first administration of rhubarb, duration of rhubarb use in our hospital, and initial existence of stimulant pain caused by taking stimulant laxatives for the first time. No significant difference was shown between the two groups in terms of age, duration of stimulant laxative-use before the first prescription of rhubarb, shape of stool, abdominal symptoms, existence of hemorrhoids, or duration of rhubarb-use. However, most patients in the regular-dose group had initial stimulant pain of the abdomen upon taking stimulant laxatives for the first time, but most patients in the excess-dose group did not (p < 0.001). All patients except one in the regular dose group had the sign of "umbilical region tenderness on pressure", but half of the excess-dose group did not have it (P = 0.041). Based on these findings, the absence of "initial stimulant pain" and the absence of "umbilical region tenderness on pressure" may predict increasing or excess use of rhubarb, and long-term use of rhubarb should be discouraged more strongly in the patients without these signs.

  DOI：

  10.1078/09447110260571580

文献信息

• Hydrogen Exchange Reactions of Aromatic Tertiary Amines
  作者：Weldon G. Brown、Nicholas J. Letang

  DOI：10.1021/ja01847a009

  日期：1941.2
• Pozharskii, A. F.; Suslov, A. N.; Starshikov, N. M., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 1890 - 1901
  作者：Pozharskii, A. F.、Suslov, A. N.、Starshikov, N. M.、Popova, L. L.、Klyuev, N. A.、Adanin, V. A.

  DOI：——

  日期：——
• Vesely; Vojtech, Collection of Czechoslovak Chemical Communications, vol. 1, p. 107,113
  作者：Vesely、Vojtech

  DOI：——

  日期：——
• POZHARSKIJ A. F.; SUSLOV A. N.; STARSHIKOV N. M.; POPOVA L. L.; KLYUEV N.+, ZH. ORGAN. XIMII, 1980, 16, HO 10, 2216-2228
  作者：POZHARSKIJ A. F.、 SUSLOV A. N.、 STARSHIKOV N. M.、 POPOVA L. L.、 KLYUEV N.+

  DOI：——

  日期：——
• A comparative study between excess-dose users and regular-dose users of rhubarb contained in Kampo medicines
  作者：N. Mantani、T. Kogure、S. Sakai、M. Kainuma、Y. Kasahara、A. Niizawa、Y. Shimada、K. Terasawa

  DOI：10.1078/09447110260571580

  日期：2002.1

  With prolonged use of rhubarb-containing Kampo medicines, some patients come to ask for highdose rhubarb because of deteriorated reactivity to rhubarb. We divided patients into two groups in terms of rhubarb-dose, and compared clinical backgrounds between regular-dose group and excess-dose group. Patients who were treated with rhubarb-containing Kampo extracts (manufactured prescriptions) or Kampo formulae (decoctions) for more than 12 months were enrolled. These two groups were compared for age, sex, shape of stool, abdominal symptoms, existence of hemorrhoids, Kampo diagnosis of abdomen, past stimulant laxative use, duration of stimulant laxative use before the first administration of rhubarb, duration of rhubarb use in our hospital, and initial existence of stimulant pain caused by taking stimulant laxatives for the first time. No significant difference was shown between the two groups in terms of age, duration of stimulant laxative-use before the first prescription of rhubarb, shape of stool, abdominal symptoms, existence of hemorrhoids, or duration of rhubarb-use. However, most patients in the regular-dose group had initial stimulant pain of the abdomen upon taking stimulant laxatives for the first time, but most patients in the excess-dose group did not (p < 0.001). All patients except one in the regular dose group had the sign of "umbilical region tenderness on pressure", but half of the excess-dose group did not have it (P = 0.041). Based on these findings, the absence of "initial stimulant pain" and the absence of "umbilical region tenderness on pressure" may predict increasing or excess use of rhubarb, and long-term use of rhubarb should be discouraged more strongly in the patients without these signs.