(7-methyl-[2]naphthyl)-acetonitrile | 875223-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (7-methyl-[2]naphthyl)-acetonitrile
• 英文别名: (7-Methyl-[2]naphthyl)-acetonitril；2-(7-Methylnaphthalen-2-yl)acetonitrile
• CAS: 875223-41-9
• 化学式: C₁₃H₁₁N
• 分子量: 181.237
• InChiKey: LORODWPDFSXVMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (7-methyl-[2]naphthyl)-acetonitrile 在 吡啶 、 氯化亚砜 、 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 1.92h， 生成 4-[(7-methylnaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
  参考文献：
  名称：

  Antihyperglycemic activity of novel naphthalenylmethyl-3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of naphthalenyl 3H-1,2,3,5-oxathiadiazole 2-oxides was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. Substitution at the 1-, 5-, or 8-positions of the naphthalene ring with a halogen was found to be beneficial to antihyperglycemic activity. 4-[(5-Chloronaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole 2-oxide (45), one of the most potent compounds in this series, was selected for further pharmacological evaluation.

  DOI：

  10.1021/jm00069a006
• 作为产物：
  描述：

  2-(7-methylnaphthyl)methanol 在 氯化亚砜 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 19.67h， 生成 (7-methyl-[2]naphthyl)-acetonitrile
  参考文献：
  名称：

  Antihyperglycemic activity of novel naphthalenylmethyl-3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of naphthalenyl 3H-1,2,3,5-oxathiadiazole 2-oxides was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. Substitution at the 1-, 5-, or 8-positions of the naphthalene ring with a halogen was found to be beneficial to antihyperglycemic activity. 4-[(5-Chloronaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole 2-oxide (45), one of the most potent compounds in this series, was selected for further pharmacological evaluation.

  DOI：

  10.1021/jm00069a006

文献信息

• Lecocq, Annales de Chimie (Cachan, France), 1948, vol. <12> 3, p. 62,84
  作者：Lecocq

  DOI：——

  日期：——
• 180. Side-chain bromination of some alkylnaphthalenes with N-bromosuccinimide
  作者：Ng. Ph. Buu-Hoï、Jean Lecocq

  DOI：10.1039/jr9460000830

  日期：——