methyl 6-(dimethoxymethyl)picolinate | 118130-85-1

• 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: methyl 6-(dimethoxymethyl)picolinate
• 英文别名: methyl 6-(dimethoxymethyl)pyridine-2-carboxylate；6-dimethoxymethyl-pyridine-2-carboxylic acid methyl ester
• CAS: 118130-85-1
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: LKTBVJIYAHDBON-UHFFFAOYSA-N

物化性质

• 熔点：
  66-67 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• 沸点：
  281.4±40.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 6-(dimethoxymethyl)picolinate 在 sodium tetrahydroborate 、 potassium tert-butylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-(diphenylphosphino)-N-((6-((diphenylphosphino)methyl)pyridin-2-yl)methyl)ethan-1-amine
  参考文献：
  名称：

  Highly Efficient Tetradentate Ruthenium Catalyst for Ester Reduction: Especially for Hydrogenation of Fatty Acid Esters

  摘要：

  A new tetradentate ruthenium complex has been developed for hydrogenation of esters. The catalyst's structure features a pyridinemethanamino group and three tight chelating five-membered rings. The structure character is believed to be responsible for its high stability and high carbonylation-resistant properties. Thus, this catalyst shows outstanding performance in the catalytic hydrogenation of a variety of esters, especially for fatty acid esters, which may be used in practical applications. New insight on designing hydrogenation catalyst for reducing esters to alcohols has been provided through theoretical calculations.

  DOI：

  10.1021/ol503456j
• 作为产物：
  描述：

  吡啶-2.6-二羧酸二甲酯 在 4-甲基苯磺酸吡啶 、 二异丁基氢化铝 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 methyl 6-(dimethoxymethyl)picolinate
  参考文献：
  名称：

  Masiero, Stefano; Fini, Federico; Gottarelli, Giovanni, Journal of Chemical Research, Miniprint, 1998, # 10, p. 2736 - 2753

  摘要：

  DOI：

文献信息

• [EN] 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSES HETEROCYCLIQUES SUBSTITUES EN POSITION 2 ET COMPOSITION ANTITUMORALE RENFERMANT LESDITS COMPOSES
  申请人：CHONG KUN DANG PHARM CORP

  公开号：WO2004037808A1

  公开（公告）日：2004-05-06

  The present invention relates with 2-substituted heterocyclic compounds and antitumor composition comprising the same. The compound according to the present invention exhibits superior effect as telomerase inhibitor based on new mechanism (terlomere-terlomerase) which can resolve the problems occurring at the time of using chemotherapeutics, i.e side effects and cross resistance between related mechanism on using chemotherapeutics. In addition, the antitumor composition comprising the compound of the present invention exhibits superior effect in inhibiting the growth of cancer cell.

  本发明涉及2-取代杂环化合物和包括其在内的抗肿瘤组合物。根据本发明的化合物基于新机制（端粒酶-端粒酶）表现出优越的端粒酶抑制剂效果，可以解决在使用化疗药物时出现的问题，即副作用和化疗药物之间相关机制的交叉耐药性。此外，包括本发明化合物的抗肿瘤组合物表现出优越的抑制癌细胞生长的效果。
• 一种手性四齿膦配体化合物及其制备方法和应用
  申请人：南方科技大学

  公开号：CN117126209A

  公开（公告）日：2023-11-28

  本发明涉及催化领域，公开一种手性四齿膦配体化合物及其制备方法和应用，本发明提供的手性四齿膦配体化合物，其结构如式I所示，其中，R1和R2各自独立地选自取代或未取代的苯基，取代的苯基的取代基各自独立地选自C1～C12烷基、C1～C6烷氧基或卤素，取代基的个数为1、2或3。本发明提供的手性四齿膦配体化合物与金属铁形成铁基络合物应用于芳酮类化合物的不对称氢化反应，不仅优化了金属铁在芳酮类化合物的不对称氢化反应中的反应活性，反应也获得了优秀的对映选择性。
• Synthetic models for the transition metal binding site of bleomycin. Remarkable improvement of dioxygen activating capability
  作者：Atsushi Kittaka、Yuichi Sugano、Masami Otsuka、Masaji Ohno

  DOI：10.1016/s0040-4020(88)90017-8

  日期：——
• KITTAKA, ATSUSHI;SUGANO, YUICHI;OTSUKA, MASAMI;OHNO, MASAJI, TETRAHEDRON, 44,(1988) N 10, 2811-2820
  作者：KITTAKA, ATSUSHI、SUGANO, YUICHI、OTSUKA, MASAMI、OHNO, MASAJI

  DOI：——

  日期：——
• Highly Efficient Tetradentate Ruthenium Catalyst for Ester Reduction: Especially for Hydrogenation of Fatty Acid Esters
  作者：Xuefeng Tan、Yan Wang、Yuanhua Liu、Fangyuan Wang、Liyang Shi、Ka-Ho Lee、Zhenyang Lin、Hui Lv、Xumu Zhang

  DOI：10.1021/ol503456j

  日期：2015.2.6

  A new tetradentate ruthenium complex has been developed for hydrogenation of esters. The catalyst's structure features a pyridinemethanamino group and three tight chelating five-membered rings. The structure character is believed to be responsible for its high stability and high carbonylation-resistant properties. Thus, this catalyst shows outstanding performance in the catalytic hydrogenation of a variety of esters, especially for fatty acid esters, which may be used in practical applications. New insight on designing hydrogenation catalyst for reducing esters to alcohols has been provided through theoretical calculations.