N-isopropyl-2,2-dimethylpropionimidoyl chloride | 50993-05-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 亚胺酰卤
• 英文名称: N-isopropyl-2,2-dimethylpropionimidoyl chloride
• 英文别名: N-isopropylpivalimidoyl chloride；2,2-dimethyl-N-propan-2-ylpropanimidoyl chloride
• CAS: 50993-05-0
• 化学式: C₈H₁₆ClN
• 分子量: 161.675
• InChiKey: GAUNZVJRGXPRGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-isopropyl-2,2-dimethylpropionimidoyl chloride 在 18-冠醚-6 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 生成 Methyl-N-(N-isopropyl-pivalimidoyl)-carbamat
  参考文献：
  名称：

  Imidoyl-isocyanate und ihre Folgeprodukte

  摘要：

  DOI：

  10.1055/s-1978-24883

文献信息

• Strikingly Different Reactivity Patterns of Fischer Alkoxycarbene and Thiocarbene Complexes in Experimental and Theoretical Studies
  作者：Betül Karatas、Isabella Hyla-Kryspin、Rudolf Aumann

  DOI：10.1021/om700391t

  日期：2007.9.1

  complexes 11a−l, derived from [(OC)5MC(SEt)CH2R] (8a−e; M = W, Cr; R = n-Pr, Me, c-C7H7, c-C6H7Fe(CO)3) and imidoyl chlorides under similar conditions, form pyrroles 16a−h and 17k,l by α-cyclization. On the basis of the calculated DFT/BP86 potential energy surfaces of the particular reaction channels it is shown that (β-imino)alkoxycarbene compounds 10 prefer a metalla(di-π-methane) rearrangement due to

  观察到铬和钨的烷氧基卡宾和硫代卡宾络合物的反应存在显着差异。因此，由[（OC）5 W C（OEt）CH 2 R]（7a - c ; R = n -Pr，Me，c -C 7 H 7原位生成（β-亚氨基）乙氧基卡宾络合物10a - e）和亚氨酰氯R 1 ClC NCHR 2 R 3（9a - f ; R 1 = t- Bu，Ph，2-呋喃基; R 2 = H，Me; R 3= Me，Et，Ph），经历了金属（二-π-甲烷）重排，生成（N-烯氨基）乙氧基卡宾络合物12a - e，而相应的（β-亚氨基）硫代卡宾络合物11a - l衍生自[（OC ）5 M C（SEt）CH 2 R]（8a - e ; M = W，Cr; R = n -Pr，Me，c -C 7 H 7，c -C 6 H 7 Fe（CO）3）和亚氨酰氯在相似条件下形成吡咯16a - h和通过α-环化得到的17k，l。具体的反应通道的计算DFT
• Synthesis of Secondary, Tertiary and Quaternary 1,3,5‐Triazapenta‐1,3‐dienes and Their Co ^II , Zn ^II , Pd ^II , Cu ^II and BF ₂ Coordination Compounds
  作者：Ina Häger、Roland Fröhlich、Ernst‐Ulrich Würthwein

  DOI：10.1002/ejic.200900042

  日期：2009.6

  AbstractThe secondary and tertiary 1,3,5‐triazapenta‐1,3‐dienes 2 and 3 are easily obtained by the reaction of N‐imidoyl chlorides with amidines or from ethyl N‐imidoylimidoates 5 and primary amines. In a new synthetic pathway the compounds 5 were prepared by the reaction of imidoates in their protonated or free form with N‐imidoyl chlorides. A quaternary 1,3,5‐triazapenta‐1,3‐diene 4a is obtained by the reaction of the imidoate 5b with pyrrolidine. X‐ray diffraction studies of the tertiary 1,3,5‐triazapenta‐1,3‐diene 3c and its protonated form 3c·HCl allow the comparison of different patterns of intermolecular hydrogen bonding in the solid state. Two equivalents of a secondary 1,3,5‐triazapenta‐1,3‐diene 2 were treated at room temperature after deprotonation with potassium tert‐butoxide with CuCl2, Ni(ClO4)2 or with Pd(ac)2 (without deprotonation) to give the corresponding neutral 2:1 chelate complexes (2a)2·Cu, (2a)2·Ni and (2b)2·Pd, respectively. A fluorescent boron complex 2b·BF2 was obtained by reacting 2b with boron trifluoride–diethyl ether. From the tertiary triazapentadiene 3c and CoCl2 or ZnCl2 the six‐membered 1:1 chelate complexes 3c·CoCl2 and 3c·ZnCl2, respectively, were obtained. In these cases a proton shift from the terminal nitrogen atom of the free ligand to the central nitrogen atom of the complex was observed. Two equivalents of 3c reacted at room temperature with Cu(ac)2 or Pd(ac)2 to form the neutral 2:1 chelate complexes (3c)2·Cu and (3c)2·Pd, respectively. A fluorescent 1:1 boron complex 3c·BF2 was obtained from 3c and boron trifluoride–diethyl ether. In all cases the triazapentadienes act as neutral or anionic bidentate ligands to form six‐membered chelates with the metal ion or the boron centre. Most of the complexes were completely characterized, which included X‐ray crystallography.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Imidoyl-isocyanate und ihre Folgeprodukte
  作者：Joachim GOERDELER、Roland RICHTER

  DOI：10.1055/s-1978-24883

  日期：——