Ethyl 2-butylidenecarbazate | 246522-04-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Ethyl 2-butylidenecarbazate
• 英文别名: ethyl N-(butan-2-ylideneamino)carbamate
• CAS: 246522-04-3
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: QFUUKJRPISZCNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-butylidenecarbazate 在 sodium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 16.0h， 生成 1-ethoxycarbonyl-3-ethyl-3-methyl-5-(phenylselanylmethyl)pyrazolidine
  参考文献：
  名称：

  Synthesis of pyrazolidine, 1-pyrazoline, 2-pyrazoline derivatives by selenium-induced cyclization of homoallylhydrazines

  摘要：

  The PhSeBr-induced cyclization of N'-but-3-en-1-yl ethoxycarbonylhydrazines 1, phenylhydrazines 2 and dimethylhydrazines 3 has been studied. A 5-exo-trig ring closure occurred in each case and phenylselanyimethyl-pyrazolidines 4, 2-pyrazolines 5 and 10, 1-pyrazolines 8 and pyrazolidinium bromides 11 were synthesized. Radical deselenenylation has allowed the preparation of 5-methylpyrazolidines 12 and 5-methyl-2-pyrazolines 13 and 14. Decomposition of the dibromoselenuranes derived from 2-pyrazolines 5 and 10 afforded bromomethyl derivatives. With 1-phenyl-2-pyrazolines 10, an electrophilic p-halogenation of the phenyl nucleus was observed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01064-x
• 作为产物：
  描述：

  丁酮 、 肼基甲酸乙酯 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以66%的产率得到Ethyl 2-butylidenecarbazate
  参考文献：
  名称：

  El-Gazzar, Abdel-Rahman B. A.; Scholten, Kirsten; Guo, Yiping, Journal of the Chemical Society. Perkin transactions I, 1999, # 14, p. 1999 - 2010

  摘要：

  DOI：

文献信息

• Fujita, Mikako; Kobori, Takeo; Hiyama, Tamejiro, Heterocycles, 1993, vol. 36, # 1, p. 33 - 36
  作者：Fujita, Mikako、Kobori, Takeo、Hiyama, Tamejiro、Kondo, Kiyosi

  DOI：——

  日期：——
• El-Gazzar, Abdel-Rahman B. A.; Scholten, Kirsten; Guo, Yiping, Journal of the Chemical Society. Perkin transactions I, 1999, # 14, p. 1999 - 2010
  作者：El-Gazzar, Abdel-Rahman B. A.、Scholten, Kirsten、Guo, Yiping、Weissenbach, Kerstin、Hitzler, Martin G.、Roth, Gerhard、Fischer, Helmut、Jochims, Johannes C.

  DOI：——

  日期：——
• Synthesis of pyrazolidine, 1-pyrazoline, 2-pyrazoline derivatives by selenium-induced cyclization of homoallylhydrazines
  作者：Michaël Ternon、Francis Outurquin、Claude Paulmier

  DOI：10.1016/s0040-4020(01)01064-x

  日期：2001.12

  The PhSeBr-induced cyclization of N'-but-3-en-1-yl ethoxycarbonylhydrazines 1, phenylhydrazines 2 and dimethylhydrazines 3 has been studied. A 5-exo-trig ring closure occurred in each case and phenylselanyimethyl-pyrazolidines 4, 2-pyrazolines 5 and 10, 1-pyrazolines 8 and pyrazolidinium bromides 11 were synthesized. Radical deselenenylation has allowed the preparation of 5-methylpyrazolidines 12 and 5-methyl-2-pyrazolines 13 and 14. Decomposition of the dibromoselenuranes derived from 2-pyrazolines 5 and 10 afforded bromomethyl derivatives. With 1-phenyl-2-pyrazolines 10, an electrophilic p-halogenation of the phenyl nucleus was observed. (C) 2001 Elsevier Science Ltd. All rights reserved.