diisopropyl 1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate | 80891-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: diisopropyl 1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate
• 英文别名: diisopropyl-1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate；1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate；ethyl 4-di(propan-2-yloxy)phosphoryl-4H-pyridine-1-carboxylate
• CAS: 80891-12-9
• 化学式: C₁₄H₂₄NO₅P
• 分子量: 317.322
• InChiKey: SIHJFBJHZUKNKN-UHFFFAOYSA-N

物化性质

• 沸点：
  129 °C(Press: 0.25 Torr)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diisopropyl 1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate 在 正丁基锂 、 potassium tert-butylate 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.83h， 生成 4-苄基吡啶
  参考文献：
  名称：

  Regioselective Synthesis of 4-Alkylpyridines from Pyridine and Aldehydes via Dipole Reversal Process of 1,4-Dihydropyridine Phosphonate

  摘要：

  DOI：

  10.3987/com-05-s(t)49
• 作为产物：
  描述：

  三异丙基亚磷酸酯 、 N-ethoxycarbonylpyridinium chloride 以73%的产率得到diisopropyl 1-ethoxycarbonyl-1,4-dihydropyridine-4-phosphonate
  参考文献：
  名称：

  Akiba, Kin-ya; Matsuoka, Hideto; Iseki, Yuji, Heterocycles, 1982, vol. 19, # 1, p. 167

  摘要：

  DOI：

文献信息

• Substituted anilide compounds which are useful in the treatment of
  申请人：Kowa Company, Ltd.

  公开号：US04886822A1

  公开（公告）日：1989-12-12

  A substituted anilide derivative of the formula ##STR1## wherein R.sub.1 represents a mononuclear or binuclear heterocyclic group which contains 1 to 3 nitrogen atoms as ring members and may have a substituent. A represents a single bond, a carbonyl group, a sulfur atom, or a lower alkylene group which may be substituted by a hydroxyl group, R.sub.2 represents a hydrogen atom, a halogen atom, a lower alkyl group, a trifluoromethyl group, a lower alkenyloxy group, or a C.sub.1 -C.sub.14 alkoxy group which may have a substituent, R.sub.3 and R.sub.4 are identical or different, and each represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl(lower alkyl) group which may have a substitutent, or taken together, may form a saturated nitrogen-containing heterocyclic group together with the nitrogen atom to which they are bonded, and B represents a single bond or a lower alkylene group which may have a substituent, or an acid addition salt thereof. The compound of formula (I) or a pharmaceutically acceptable acid addition salt thereof is useful for the manufacture of antiarrhythmically active medicaments.

  一种取代苯酰胺衍生物，其化学式为##STR1##其中R.sub.1代表含有1至3个氮原子作为环成员的单核或双核杂环基团，可能有取代基。A代表单键，羰基，硫原子或可由羟基取代的较低烷基烷基，R.sub.2代表氢原子，卤素原子，较低烷基，三氟甲基，较低烯氧基或C.sub.1-C.sub.14烷氧基，可能有取代基，R.sub.3和R.sub.4相同或不同，各代表氢原子，较低烷基，苯基或苯基（较低烷基）基团，可能有取代基，或者共同形成与它们键合的氮原子一起饱和的含氮杂环基团，B代表单键或较低烷基烷基，可能有取代基，或其酸加成盐。式（I）化合物或其药学上可接受的酸加成盐用于制造抗心律失常活性药物。
• Substituted anilide derivatives
  申请人：KOWA COMPANY, LTD.

  公开号：EP0286979A1

  公开（公告）日：1988-10-19

  A substituted anilide derivative of the formula wherein R1 represents a mononuclear or binuclear heterocyclic group which contains 1 to 3 nitrogen atoms as ring members and may have a substituent. A represents a single bond, a carbonyl group, a sulfur atom, or a lower alkylene group which may be substituted by a hydroxyl group, R2 represents a hydrogen atom, a halogen atom, a lower alkyl group, a trifluoromethyl group, a lower alkenyloxy group, or a C1-C14 alkoxy group which may have a substituent, R3 and R4 are identical or different, and each represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl(lower alkyl) group which may have a substituent, or taken together, may form a saturated nitrogen-containing heterocyclic group together with the nitrogen atom to which they are bonded, and B represents a single bond or a lower alkylene group which may have a substituent, or an acid addition salt thereof. The compound of formula (I) or a pharmaceutically acceptable acid addition salt thereof is useful for the manufacture of anti-arrhythmically active medicaments.

  式中的取代苯胺衍生物 其中 R1 代表单核或双核杂环基团，其环状成员含有 1 至 3 个氮原子，并可带有取代基。 A 代表单键、羰基、硫原子或可被羟基取代的低级亚烷基、 R2 代表氢原子、卤素原子、低级烷基、三氟甲基、低级烯氧基或 C1-C14 烷氧基，可带有取代基、 R3 和 R4 相同或不同，各自代表一个氢原子、一个低级烷基、一个苯基或一个苯基（低级烷基）基团，该基团可带有一个取代基，或可与它们所键合的氮原子一起形成一个饱和含氮杂环基团，以及 B 代表单键或可带有取代基的低级亚烷基、 或其酸加成盐。式（I）化合物或其药学上可接受的酸加成盐可用于制造抗心律失常活性药物。
• Regiospecific introduction of alkyl groups into 4-position of pyridine novel synthesis of 4-substituted pyridines
  作者：Kin-ya Akiba、Hideto Matsuoka、Makoto Wada

  DOI：10.1016/s0040-4039(01)82074-8

  日期：1981.1
• AKIBA, KIN-YA;MATSUOKA, HIDETO;WADA, MAKOTO, TETRAHEDRON LETT., 1981, 22, N 41, 4093-4096
  作者：AKIBA, KIN-YA、MATSUOKA, HIDETO、WADA, MAKOTO

  DOI：——

  日期：——
• US4886822A
  申请人：——

  公开号：US4886822A

  公开（公告）日：1989-12-12