(+/-)-2-methyl-2-phenylhexanenitrike | 4355-47-9

• 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-phenylhexanenitrike
• 英文别名: 2-methyl-2-phenyl-hexanenitrile；2-Methyl-2-phenyl-hexannitril；2-Methyl-2-phenylhexannitril；I+/--Butyl-I+/--methylbenzeneacetonitrile；2-methyl-2-phenylhexanenitrile
• CAS: 4355-47-9
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: FDZWXCNZTGFTNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  α-甲基苯腈 在 正溴丁烷 、 sodium amide 、 苯 作用下， 生成 (+/-)-2-methyl-2-phenylhexanenitrike
  参考文献：
  名称：

  Arcus et al., Journal of the Chemical Society, 1951, p. 407,409

  摘要：

  DOI：

文献信息

• THE REDUCTIVE LITHIATION OF THIOACETALS, α,α-BIS(TRIMETHYLSILYL)ALKYL SULFIDES, AND 2-ALKYL-2-ETHYLTHIOALKANENITRILES USING TRIBUTYLSTANNYLLITHIUM
  作者：Takeshi Takeda、Kazuo Ando、Akira Mamada、Tooru Fujiwara

  DOI：10.1246/cl.1985.1149

  日期：1985.8.5

  The reaction of thioacetals of phenyl ketones, α,α-bis(trimethylsilyl)alkyl sulfides, and 2-alkyl-2-ethylthioalkanenitriles with tributylstannyllithium gave the corresponding α-anions of sulfides, α,α-bis(trimethylsilyl)alkane, and nitriles, respectively.

  苯基酮的硫缩醛、α,α-双（三甲基甲硅烷基）烷基硫化物和 2-烷基-2-乙基硫代链烷腈与三丁基锡锂的反应得到相应的硫化物、α,α-双（三甲基甲硅烷基）烷烃和腈的 α-阴离子， 分别。
• Transition metal-free addition of ketones or nitriles to 1,3-dienes
  作者：Jean-Marc Gaudin、Pascal Millet

  DOI：10.1039/b715262k

  日期：——

  The simpler the better (or going green): The first examples of the catalytic addition of 1,3-dienes to simple ketones or nitriles are described. These reactions can be effected on a kilogram scale, representing the shortest access featuring a perfect atom economy to molecules of interest in the perfume industry.

  简而美之（或绿色化）：首次报道了1,3-二烯与简单酮或腈的催化加成反应实例。这些反应可在千克级规模上实现，代表了以完美的原子经济性获取香水行业中感兴趣分子的最短途径。
• Decyanation–(hetero)arylation of malononitriles to access α-(hetero)arylnitriles
  作者：L. Reginald Mills、Purvish Patel、Sophie A. L. Rousseaux

  DOI：10.1039/d2ob00236a

  日期：——

  Quaternary α-(hetero)arylnitriles are desirable biologically relevant products, however the existing methods for their synthesis can be unselective or require the use of undesirable reagents, such as cyanide salts. Herein we report a one-pot method for transnitrilation-mediated decyanation–metalation of disubstituted malononitriles, followed by treatment with (hetero)aryl electrophiles to access quaternary

  季 α-(杂)芳基腈是理想的生物学相关产品，但是现有的合成方法可能是非选择性的或需要使用不需要的试剂，例如氰化物盐。在这里，我们报告了一种用于二取代丙二腈的反硝化介导的脱氰化金属化的一锅法，然后用（杂）芳基亲电试剂处理以获得季α-（杂）芳基腈产物。使用这种方法制备了许多产品（34 个示例，产率 27-99%）。该方法突出了丙二腈作为含烷基腈化合物前体的有用性。
• High- and moderately high-methionine uptake demonstrated by PET in a patient with a subacute cerebral infarction
  作者：Atsuko Nagano-Saito、Takashi Kato、Toshihiko Wakabayashi、Masanari Nishino、Motonori Ohshima、Kengo Ito、Tsumeo Ishiguchi、Masanori Tadokoro、Takeo Ishigaki、Yuji Abe、Masahiko Bundo

  DOI：10.1007/bf02988250

  日期：2001.8

  In patients with cerebral tumors, high accumulations of L-methyl-C-11-methionine (C-11-Met) have been reported in some cases of cerebral ischemic disease, but no high accumulations of C-11-Met in areas where only transient arterial occlusions are most likely to occur have been reported. Herein we present a case of a high accumulation of C-11-Met in an area of frontal interhemispheric cerebral infarction and a moderately high accumulation with an unclear margin in a distant frontal convexity area. A craniotomy revealed a subacute stage of cerebral infarction in the interhemispheric lesion, and an ischemic change in the distant convexity area. Sixteen months after onset, CT scans demonstrated an infarction area in the interhemispheric lesion only, and no atrophic changes were observed in the distant convexity area indicating that no serious tissue damage had occurred.
• TAKEDA, TAKESHI;ANDO, KAZUO;MAMADA, AKIRA;FUJIWARA, TOORU, CHEM. LETT., 1985, N 8, 1149-1152
  作者：TAKEDA, TAKESHI、ANDO, KAZUO、MAMADA, AKIRA、FUJIWARA, TOORU

  DOI：——

  日期：——