(2-Methyl-2-propan-2-ylpyrrolidin-1-yl)-phenylmethanone | 1000789-41-2

• 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: (2-Methyl-2-propan-2-ylpyrrolidin-1-yl)-phenylmethanone
• CAS: 1000789-41-2
• 化学式: C₁₅H₂₁NO
• 分子量: 231.338
• InChiKey: PCCHZWKUJAFQBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-methyl-4-methylidene-N-phenylsulfanylhexan-1-amine 、 苯甲酰氯 在 偶氮二异丁腈 、 三正丁基氢锡 、 三乙胺 作用下， 以 苯 为溶剂， 以43%的产率得到(2-Methyl-2-propan-2-ylpyrrolidin-1-yl)-phenylmethanone
  参考文献：
  名称：

  5-Exo versus 6-Endo Cyclization of Primary Aminyl Radicals:  An Experimental and Theoretical Investigation

  摘要：

  The cyclization of neutral primary pent-4-enylaminyl radicals was investigated experimentally and theoretically. Unlike the corresponding secondary aminyl radicals, primary pent-4-enylaminyl radicals underwent efficient cyclization to afford the pyrrolidine and/or piperidine products in good to high yields. While the simple pent-4-enylaminyl radical gave predominately the 5-exo, cyclization product, 4-chloropent-4-enylarninyl radicals led to the formation of the corresponding 6-endo cyclization products in excellent regioselectivity. Theoretical calculations revealed that the 5-exo cyclization rate of primary aminyl radicals is about 3-4 orders of magnitude higher than that of secondary aminyl radicals.

  DOI：

  10.1021/jo7015967

文献信息

• USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150216168A1

  公开（公告）日：2015-08-06

  The use of substituted 2-amidobenzimidazoles, 2-amidobenzoxazoles and 2-amidobenzothiazoles of the general formula (I) or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress, for strengthening plant growth and/or for increasing plant yield, and to selected processes for preparing the compounds mentioned above.

  使用通式(I)中的取代2-酰胺苯并咪唑、2-酰胺苯并噁唑和2-酰胺苯并噻唑或其盐，其中通式(I)中的基团与描述中给出的定义相对应，用于增强植物对非生物胁迫的耐受性，加强植物生长和/或增加植物产量，并选择性地用于制备上述化合物的过程。
• USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150218110A1

  公开（公告）日：2015-08-06

  The use of substituted benzodiazepinones and benzazepinones of the general formula (I) or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress, for strengthening plant growth and/or for increasing plant yield, and to selected processes for preparing the compounds mentioned above.

  使用通式（I）或其盐的取代苯二氮平酮和苯并氮平酮，其中通式（I）中的基团对应于描述中给出的定义，用于增强植物对非生物胁迫的耐受性，加强植物生长和/或增加植物产量，并选择上述化合物的制备过程。
• 5-<i>Exo</i> versus 6-<i>Endo</i> Cyclization of Primary Aminyl Radicals:  An Experimental and Theoretical Investigation
  作者：Feng Liu、Kun Liu、Xinting Yuan、Chaozhong Li

  DOI：10.1021/jo7015967

  日期：2007.12.1

  The cyclization of neutral primary pent-4-enylaminyl radicals was investigated experimentally and theoretically. Unlike the corresponding secondary aminyl radicals, primary pent-4-enylaminyl radicals underwent efficient cyclization to afford the pyrrolidine and/or piperidine products in good to high yields. While the simple pent-4-enylaminyl radical gave predominately the 5-exo, cyclization product, 4-chloropent-4-enylarninyl radicals led to the formation of the corresponding 6-endo cyclization products in excellent regioselectivity. Theoretical calculations revealed that the 5-exo cyclization rate of primary aminyl radicals is about 3-4 orders of magnitude higher than that of secondary aminyl radicals.