dimethyl 4-chloromethyl-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate | 3168-65-8

• 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: dimethyl 4-chloromethyl-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate
• 英文别名: 4-chloromethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester；2,6-Dimethyl-4-chlormethyl-3,5-bis-methoxycarbonyl-1,4-dihydropyridin, 4-Chlormethyl-1,4-dihydro-2,6-dimethyl-pyridin-3,5-dicarbonsaeure-dimethylester；dimethyl 4-(chloromethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 3168-65-8
• 化学式: C₁₂H₁₆ClNO₄
• 分子量: 273.716
• InChiKey: AXBRWBFNDNNMPI-UHFFFAOYSA-N

物化性质

• 熔点：
  158-159 °C
• 沸点：
  377.4±42.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  dimethyl 4-chloromethyl-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate 以67%的产率得到
  参考文献：
  名称：

  BULLOCK E.; GREGORY B.; THOMAS M. T., CAN. J. CHEM. , 1977, 55, NO 4, 693-699

  摘要：

  DOI：

文献信息

• Heterocyclic rearrangements. Part IV. Formation and reactions of some azepines
  作者：J. Ashby、L. A. Cort、J. A. Elvidge、Ulli Eisner

  DOI：10.1039/j39680002311

  日期：——

  Some 2,5-bridged tetrahydroazepines, where the bridging group X is NMe, N·CH2Ph, or Se, have been prepared from 4H-azepines and also, when X is NH or Se, from (halogenomethyl)dihydropyridines byr ing expansion. When X is NH the product reacts further to give dihydroazepine and pyrrole derivatives. The stereochemistry of these bicyclic compounds, which varies little according to the bridging atom (including

  由4个H-氮杂环庚烷制备了一些2,5桥联的四氢氮杂环庚烷，其中桥接基团X为NMe，N·CH 2 Ph或Se ，当X为NH或Se时，还通过（卤甲基）二氢吡啶制备扩张。当X为NH时，产物进一步反应得到二氢hydro庚因和吡咯衍生物。这些双环化合物的立体化学几乎没有根据桥接原子（包括X为S的情况）而变化，这主要是通过nmr测量得出的。
• Heterocyclic rearrangements. Part III. A novel sulphur-containing bicyclic system
  作者：J. Ashby、Ulli Eisner

  DOI：10.1039/j39670001706

  日期：——

  Two syntheses of the novel 8-thia-2-azabicyclo-[3,2,1]oct-3-ene derivative, believed to be a dihydropyridine by earlier workers, are described. Evidence for its structure is presented and some of its reactions are recorded.

  描述了新颖的8-thia-2-氮杂双环-[3,2,1]辛-3-烯衍生物的两个合成，早期的工作者认为这是二氢吡啶。提供了其结构的证据，并记录了其一些反应。
• Synthesis of 4,5-dihydroazepine-3,6-dicarboxylate derivatives by stereoselective ring expansion-nucleophilic addition to 4-.alpha.-chloroalkyl-1,4-dihydropyridine-3,5-dicarboxylates
  作者：David A. Claremon、David E. McClure、James P. Springer、John J. Baldwin

  DOI：10.1021/jo00194a055

  日期：1984.10
• Gregory, Brian; Bullock, Eric; Chen, Teng-Song, Canadian Journal of Chemistry, 1985, vol. 63, p. 843 - 848
  作者：Gregory, Brian、Bullock, Eric、Chen, Teng-Song

  DOI：——

  日期：——
• Baggs, Marion E. M.; Gregory, Brian, Canadian Journal of Chemistry, 1980, vol. 58, p. 794 - 802
  作者：Baggs, Marion E. M.、Gregory, Brian

  DOI：——

  日期：——