5-dodecyl-3-phenyl-4,5-dihydro-isoxazole | 60148-18-7

• 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: 5-dodecyl-3-phenyl-4,5-dihydro-isoxazole
• 英文别名: 5-Dodecyl-3-phenyl-4,5-dihydro-1,2-oxazole
• CAS: 60148-18-7
• 化学式: C₂₁H₃₃NO
• 分子量: 315.499
• InChiKey: DGCUJGOJTYESQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,4-二苯基呋咱 2-氧化物 以82%的产率得到
  参考文献：
  名称：

  CHAPMAN J. A.; CROSBY J.; CUMMINGS C. A.; RENNIE R. A. C.; PATON R. M., J. CHEM. SOC. CHEM. COMMUNS , 1976, NO 7, 240-241

  摘要：

  DOI：

文献信息

• A Convenient Preparative Method of Nitrile Oxides by the Dehydration of Primary Nitro Compounds with Ethyl Chloroformate or Benzenesulfonyl Chloride in the Presence of Triethylamine
  作者：Tomio Shimizu、Yoshiyuki Hayashi、Hiroshi Shibafuchi、Kazuhiro Teramura

  DOI：10.1246/bcsj.59.2827

  日期：1986.9

  nitrile oxides (MeOCOC≡N→O, PhC≡N→O, and EtC≡N→O) were effectively generated in situ by dehydration of the corresponding primary nitro compounds (RCH2NO2) with PhSO2Cl or ClCOOEt in the presence of triethylamine. Various cycloadducts were prepared by the reaction of them with dipolarophiles. Some advantages of these methods are described in comparison with other known methods.

  在三乙胺的存在下，通过用 PhSO2Cl 或 ClCOOEt 使相应的初级硝基化合物 (RCH2NO2) 脱水，原位有效地生成了三种腈氧化物（MeOCOC≡N→O、PhC≡N→O 和 EtC≡N→O）。各种环加合物是通过它们与偶极试剂反应制备的。与其他已知方法相比，描述了这些方法的一些优点。
• Furazan N-oxides: a convenient source of both nitrile oxides and isocyanates
  作者：J. A. Chapman、J. Crosby、C. A. Cummings、R. A. C. Rennie、R. Michael Paton

  DOI：10.1039/c39760000240

  日期：——

  Thermolysis of furazan N-oxides results in ring cleavage to nitrile oxides which may be trapped in good yield as 1,3-dipolar cycloadducts; in the absence of dipolarophiles the intermediate nitrile oxides rearrange to isocyanates.

  的热解呋咱Ñ在环切割-oxides结果腈氧化物可被截留在良好的产率作为1,3-偶极cycloadducts; 在不存在双极性亲和剂的情况下，中间的腈氧化物重排为异氰酸酯。
• <i>O</i>-Ethoxycarbonyl Hydroximoyl Chloride as Nitrile Oxide Precursor
  作者：Tomio Shimizu、Yoshiyuki Hayashi、Nobuhiro Furukawa、Kazuhiro Teramura

  DOI：10.1246/bcsj.64.318

  日期：1991.1

  O-Ethoxycarbonyl hydroximoyl chloride serves as a stable precursor for nitrile oxide and is converted into the 1,3-dipole when heated under reflux in pyridine.

  O-乙氧羰基羟肟酰氯作为腈氧化物的稳定前体，在吡啶中回流加热时转化为 1,3-偶极子。
• The Reaction of Primary Nitro Compounds with Dipolarophiles in the Presence of<i>p</i>-Toluenesulfonic Acid
  作者：Tomio Shimizu、Yoshiyuki Hayashi、Kazuhiro Teramura

  DOI：10.1246/bcsj.57.2531

  日期：1984.9

  were obtained from the reaction of primary nitro compounds [methyl nitroacetate, 2-nitro-1-phenylethanone, (nitromethyl)benzene, 1-nitropropane, and (phenylsulfonyl)nitromethane] with dipolarophiles in refluxing mesitylene in the presence of a small amount of p-toluenesulfonic acid. The formation of these products can be explained in terms of 1,3-dipolar cycloaddition of nitrile oxide generated by a

  3-取代的 2-异恶唑啉或异恶唑是从初级硝基化合物 [硝基乙酸甲酯、2-硝基-1-苯基乙酮、（硝基甲基）苯、1-硝基丙烷和（苯磺酰基）硝基甲烷]与偶极体在回流的均三甲苯中反应获得的存在少量对甲苯磺酸。这些产物的形成可以通过初级硝基化合物脱水产生的腈氧化物的 1,3-偶极环加成来解释。另一方面，4,5-十亚甲基-3-苯基磺酰基-2-异恶唑啉N-氧化物是从（苯基磺酰基）硝基甲烷与环十二烯的类似反应中获得的。异恶唑啉N-氧化物的形成可以基于3,4-双(苯基磺酰基)呋喃2-氧化物的中间体来解释。
• SHIMIZU, TOMIO;HAYASHI, YOSHIYUKI;FURUKAWA, NOBUHIRO;TERAMURA, KAZUHIRO, BULL. CHEM. SOC. JAP., 64,(1991) N, C. 318-320
  作者：SHIMIZU, TOMIO、HAYASHI, YOSHIYUKI、FURUKAWA, NOBUHIRO、TERAMURA, KAZUHIRO

  DOI：——

  日期：——