4-benzylaminomethyl-2,2-dimethyl-1,3-dioxolane | 84508-72-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-benzylaminomethyl-2,2-dimethyl-1,3-dioxolane
• 英文别名: (+/-)-N-benzyl-1-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanamine；N-benzyl-(2,2-dimethyl-1,3-dioxolan-4-yl)methylamine；1-N-benzylamino-2,3-O-isopropylidine glycerol；N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
• CAS: 84508-72-5
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: MORYQQDCTDTLST-UHFFFAOYSA-N

物化性质

• 沸点：
  303.8±22.0 °C(Predicted)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzylaminomethyl-2,2-dimethyl-1,3-dioxolane 、 1,3-二氯丙烷-2-酮O-苄基-肟 以 甲醇 为溶剂， 反应 72.0h， 以77%的产率得到1,3-bis{benzyl[((+/-)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl]amino}propanone O-benzyloxime
  参考文献：
  名称：

  Synthetic studies towards 4,10-diaza-1,7-dioxaspiro[5.5]undecanes: access to 3-aza-6,8-dioxabicyclo[3.2.1]octan-2-one and 2H-1,4-oxazin-3(4H)-one frameworks

  摘要：

  Synthetic approaches towards 4,10-diaza-1,7-dioxaspiro[5.5] undecanes starting from 1,3-dichloroacetone and solketal derivatives are explored. The method relies on the preparation of a key bis-substituted dihydroxy-protected oxime, which would undergo a final acidic deprotection-spiroacetalization process. Although the desired diazaspiroketal framework could not be obtained, our conditions led to the unexpected 3-aza-6,8-dioxabicyclo[3.2.1] octan-2-one 18 or to the oxazinone 32 in good yields. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.109
• 作为产物：
  描述：

  丙酮缩甘油 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 50.0h， 生成 4-benzylaminomethyl-2,2-dimethyl-1,3-dioxolane
  参考文献：
  名称：

  Synthetic studies towards 4,10-diaza-1,7-dioxaspiro[5.5]undecanes: access to 3-aza-6,8-dioxabicyclo[3.2.1]octan-2-one and 2H-1,4-oxazin-3(4H)-one frameworks

  摘要：

  Synthetic approaches towards 4,10-diaza-1,7-dioxaspiro[5.5] undecanes starting from 1,3-dichloroacetone and solketal derivatives are explored. The method relies on the preparation of a key bis-substituted dihydroxy-protected oxime, which would undergo a final acidic deprotection-spiroacetalization process. Although the desired diazaspiroketal framework could not be obtained, our conditions led to the unexpected 3-aza-6,8-dioxabicyclo[3.2.1] octan-2-one 18 or to the oxazinone 32 in good yields. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.109

文献信息

• Perfluoroalkyl group-containing micelle-forming triiodoaromatic compounds, process for their production and their use as contrast media
  申请人：Schering AG

  公开号：US20030236407A1

  公开（公告）日：2003-12-25

  The invention relates to new, perfluoroalkyl group-containing triiodoaromatic compounds, process for their production, their use as contrast media for x-ray diagnosis as well as for magnetic resonance diagnosis and magnetic resonance spectroscopy by means of fluorine measurement. Subjects of the invention are also diagnostic agents that contain these new compounds.

  这项发明涉及新的含有全氟烷基基团的三碘芳香化合物，其生产方法，它们作为X射线诊断对比介质以及通过氟测量进行磁共振诊断和磁共振光谱学的用途。该发明的对象还包括含有这些新化合物的诊断剂。
• Lewis Acid Catalyzed Cyclization Reactions of Ethenetricarboxylates via Intramolecular Hydride Transfer
  作者：Shoko Yamazaki、Taku Naito、Mamiko Niina、Kiyomi Kakiuchi

  DOI：10.1021/acs.joc.7b00895

  日期：2017.7.7

  examined. The reaction of the amides bearing cyclic ether and acetal groups in the presence of Lewis acid such as Sc(OTf)3 gave spirocyclic piperidine derivatives as major products. The cyclized products may be formed via intramolecular hydride transfer. The reaction mechanism was examined by the DFT calculations. The scope and limitations of the hydride transfer/cyclization reactions of amides of

  已经研究了带有醚和缩醛基团的三羧酸乙烯酯的酰胺的催化环化。在路易斯酸如Sc（OTf）3的存在下，带有环醚和缩醛基的酰胺的反应得到螺环哌啶衍生物作为主要产物。环化产物可以通过分子内氢化物转移形成。通过DFT计算检查了反应机理。研究了三羧酸乙烯酯的酰胺的氢化物转移/环化反应的范围和局限性，还发现了通过分子内氧-迈克尔加成形成吗啉的现象。
• ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE
  申请人：Clinch Keith

  公开号：US20110046167A1

  公开（公告）日：2011-02-24

  The present invention relates to compounds of the general formula (I) which are inhibitors of 5′-methylthioadenosine phosphorylase or 5′-methylthioadenosine nucleosidase. The invention also relates to the use of these compounds in the treatment of diseases or conditions in which it is desirable to inhibit 5′-methylthioadenosine phosphorylase or 5′-methylthioadenosine nucleosidase including cancer, and to pharmaceutical compositions containing the compounds.

  本发明涉及一般公式（I）的化合物，它们是5'-甲基硫腺苷磷酸化酶或5'-甲基硫腺苷核苷酸酶的抑制剂。本发明还涉及使用这些化合物治疗希望抑制5'-甲基硫腺苷磷酸化酶或5'-甲基硫腺苷核苷酶的疾病或病况，包括癌症，并且涉及含有这些化合物的药物组合物。
• Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases
  申请人：Clinch Keith

  公开号：US20110130412A1

  公开（公告）日：2011-06-02

  The invention relates to compounds of the general formula (I) which are inhibitors of purine nucleoside phosphorylases (PNPs) and/or nucleoside hydrolases (NHs). The invention also relates to the use of these compounds in the treatment of diseases and infections including cancer, bacterial infections, protozoal infections, and T-cell mediated disease and to pharmaceutical compositions containing the compounds.

  本发明涉及一般式(I)的化合物，其为嘌呤核苷酸磷酸酯酶（PNP）和/或核苷酸水解酶（NH）的抑制剂。本发明还涉及这些化合物在治疗疾病和感染，包括癌症，细菌感染，原虫感染和T细胞介导的疾病中的使用，以及含有这些化合物的制药组合物。
• Dioxazabicyclic derivatives
  申请人：Delalande S.A.

  公开号：US04463004A1

  公开（公告）日：1984-07-31

  Compounds having analgesic activity are disclosed which have the general formula: ##STR1## wherein R.sub.1 is hydrogen, alkyl having 1 to 4 carbon atoms, cyclohexyl or benzyl; R is selected from the group consisting of alkyl having at least 4 carbon atoms; cyclohexyl; unsubstituted phenyl or phenyl substituted with one or more halogen atoms, methyl, methoxy, hydroxy, cyano, nitro, trifluoromethyl, carboxyl, ethoxycarbonyl, acetamido, methylsulfonyl, phenoxy, benzoyl, phenyl, .alpha.-hydroxybenzyl, cyclohexyl or carbamoyl; thienyl; pyridyl; naphthyl; naphthyl substituted with methoxy; adamantyl; and benzyl; and n is 1, 2 or 3, with the provisos that (1) when R is carboxyphenyl, benzoylphenyl, or (.alpha.-hydroxybenzyl) phenyl, n is not 3, and (2) when R is (.alpha.-hydroxy benzyl) phenyl, R.sub.1 is not benzyl, and acid addition salts thereof.

  本发明揭示了具有镇痛活性的化合物，其具有以下通式：##STR1##其中，R.sub.1是氢、1至4个碳原子的烷基、环己基或苯甲基；R选自以下群体：至少具有4个碳原子的烷基；环己基；未取代的苯基或取代有一个或多个卤素原子、甲基、甲氧基、羟基、氰基、硝基、三氟甲基、羧基、乙氧羰基、乙酰胺、甲磺酰基、苯氧基、苯甲酰基、苯基、α-羟基苯甲基、环己基或氨基的苯基；噻吩基；吡啶基；萘基；取代有甲氧基的萘基；金刚烷基；和苯甲基；n为1、2或3，但有以下规定：(1)当R为羧基苯基、苯甲酰基苯基或(α-羟基苯甲基)苯基时，n不为3；(2)当R为(α-羟基苯甲基)苯基时，R.sub.1不为苯甲基，以及其酸加成盐。