2,6-二甲基-4-吗啉丙腈 | 84145-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 2,6-二甲基-4-吗啉丙腈
• 中文别名: 3-(2,6-顺式2,6-二甲基吗啉-4-基)丙腈；环己桥氧羧钠
• 英文名称: 3-(2,6-Dimethylmorpholin-4-yl)propanenitrile
• CAS: 84145-73-3
• 化学式: C₉H₁₆N₂O
• mdl: MFCD00023386
• 分子量: 168.239
• InChiKey: BEJUPEKPJOPODY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-4-吗啉丙腈 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 3-(2,6-二甲基-4-吗啉)-1-丙胺
  参考文献：
  名称：

  A Structure−Activity Relationship Study of Novel Phenylacetamides Which Are Sodium Channel Blockers

  摘要：

  A structure-activity relationship study of a series of novel Na+ channel blockers, structurally related to N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-alpha-phenylbenzeneacetamide (1, PD85639) is described. The diphenylacetic acid portion of the molecule was left unchanged throughout the study, while structural features in the amine portion and the amide alkyl linkage of the molecule were modified. The compounds were tested for inhibition of veratridine-stimulated Na+ influx in CHO cells expressing type IIA Na+ channels. Several derivatives show a trend toward more potent Na+ channel blockade activity with increasing lipophilicity of the amine portion of the molecule. The presence of a phenyl ring near the amine increases inhibitory potency. A three-carbon spacer between the amide and amine is optimal, and a secondary amide linkage is preferred.

  DOI：

  10.1021/jm950467y
• 作为产物：
  描述：

  2,6-二甲基吗啉 、 丙烯腈 以 甲醇 为溶剂， 反应 24.0h， 生成 2,6-二甲基-4-吗啉丙腈
  参考文献：
  名称：

  A Structure−Activity Relationship Study of Novel Phenylacetamides Which Are Sodium Channel Blockers

  摘要：

  A structure-activity relationship study of a series of novel Na+ channel blockers, structurally related to N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-alpha-phenylbenzeneacetamide (1, PD85639) is described. The diphenylacetic acid portion of the molecule was left unchanged throughout the study, while structural features in the amine portion and the amide alkyl linkage of the molecule were modified. The compounds were tested for inhibition of veratridine-stimulated Na+ influx in CHO cells expressing type IIA Na+ channels. Several derivatives show a trend toward more potent Na+ channel blockade activity with increasing lipophilicity of the amine portion of the molecule. The presence of a phenyl ring near the amine increases inhibitory potency. A three-carbon spacer between the amide and amine is optimal, and a secondary amide linkage is preferred.

  DOI：

  10.1021/jm950467y

文献信息

• Thiazole derivatives, their preparation and their use as fungicides
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0411718A2

  公开（公告）日：1991-02-06

  Novel fungicidal thiazole derivatives of the general formula in which: R represents a hydrogen atom or a group of general formula -(CH₂)m-Y where m is 0, 1 or 2 and Y represents an optionally substituted nitrogen-containing heterocycle; R¹ represents a group of formula -(CH₂)p-X or -N(Z)-CO-X where p is 0, 1 or 2, Z represents a hydrogen atom or an alkyl group and X represents an optionally substituted nitrogen-containing heterocycle, and, provided R represents a group in accordance with the general formula -(CH₂)m-Y, may additionally represent a hydrogen atom or an optionally substituted alkyl, aryl, amino or aralkyl group; n is 0 or 1; and R² represents an optionally substituted phenyl group; and acid addition salts, N-oxides: S-oxides and metal salt complexes thereof.

  通式如下的新型杀菌噻唑衍生物 其中 R 代表氢原子或通式-(CH₂)m-Y 的基团，其中 m 为 0、1 或 2，Y 代表任选取代的含氮杂环； R¹ 代表通式-(CH₂)p-X 或-N(Z)-CO-X 的基团，其中 p 为 0、1 或 2，Z 代表氢原子或烷基，X 代表任选取代的含氮杂环，如果 R 代表符合通式-(CH₂)m-Y 的基团，还可另外代表氢原子或任选取代的烷基、芳基、氨基或芳烷基； n 是 0 或 1；以及 R² 代表任选取代的苯基；以及酸加成盐、N-氧化物、S-氧化物和金属盐络合物：S-氧化物及其金属盐络合物。
• US5332753A
  申请人：——

  公开号：US5332753A

  公开（公告）日：1994-07-26
• A Structure−Activity Relationship Study of Novel Phenylacetamides Which Are Sodium Channel Blockers
  作者：Ioannis Roufos、Sheryl Hays、Roy D. Schwarz

  DOI：10.1021/jm950467y

  日期：1996.1.1

  A structure-activity relationship study of a series of novel Na+ channel blockers, structurally related to N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-alpha-phenylbenzeneacetamide (1, PD85639) is described. The diphenylacetic acid portion of the molecule was left unchanged throughout the study, while structural features in the amine portion and the amide alkyl linkage of the molecule were modified. The compounds were tested for inhibition of veratridine-stimulated Na+ influx in CHO cells expressing type IIA Na+ channels. Several derivatives show a trend toward more potent Na+ channel blockade activity with increasing lipophilicity of the amine portion of the molecule. The presence of a phenyl ring near the amine increases inhibitory potency. A three-carbon spacer between the amide and amine is optimal, and a secondary amide linkage is preferred.