4-氯甲基-5-叔丁基呋喃-2-羧酸甲酯 | 701216-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 4-氯甲基-5-叔丁基呋喃-2-羧酸甲酯
• 英文名称: methyl 4-chloromethyl-5-tert-butylfuran-2-carboxylate
• 英文别名: methyl 5-tert-butyl-4-chloromethyl-furan-2-carboxylate；methyl 5-tert-butyl-4-chlormethyl-furan-2-carboxylate；Methyl 5-tert-butyl-4-(chloromethyl)furan-2-carboxylate
• CAS: 701216-59-3
• 化学式: C₁₁H₁₅ClO₃
• 分子量: 230.691
• InChiKey: WVSONEWTFMTQOA-UHFFFAOYSA-N

物化性质

• 沸点：
  140-142 °C(Press: 2 Torr)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯甲基-5-叔丁基呋喃-2-羧酸甲酯 在 氢氧化钾 、 氯化亚砜 、 溶剂黄146 作用下， 以 水 、 苯 为溶剂， 反应 26.0h， 生成 4-chloromethyl-5-tert-butylfuran-2-diethylcarboxamide
  参考文献：
  名称：

  3- and 4-Dialkoxyphosphorylmethyl Derivatives of 5-tert-Butylfuran with Electron-Withdrawing Substituents in Position 2

  摘要：

  A procedure for preparing 3- and 4-halomethyl derivatives of 5-tert-butylfuran containing electron-withdrawing substituents in position 2 was developed, and phosphorylation of the resulting products under the conditions of the Arbuzov and Michaelis-Becker reactions was studied. 3-Bromomethyl derivatives are phosphorylated with trimethyl phosphite considerably faster than their 4-chloromethyl analogs. At the same time, 3- and 4- chloromethyl derivatives of N,N-diethyl-5-tert-butylfuran-2-carboxamide under the conditions of the Michaelis-Becker reaction only slightly differ in chemical properties.

  DOI：

  10.1023/b:rugc.0000018647.14195.32
• 作为产物：
  描述：

  2-糠酸甲酯 在 盐酸 、 aluminum (III) chloride 、 zinc(II) chloride 作用下， 以 二硫化碳 、 四氯化碳 、 乙醚 为溶剂， 反应 102.0h， 生成 4-氯甲基-5-叔丁基呋喃-2-羧酸甲酯
  参考文献：
  名称：

  [EN] PYRIDYLTRIAZOLES
  [FR] PYRIDYLTRIAZOLES

  摘要：

  本发明涵盖了一般式（1）中的化合物，其中基团R0至R3和L的定义如索赔1中所述，适用于治疗以细胞过度或异常增殖为特征的疾病，包括含有这种化合物的药物制剂以及它们作为药物的用途。

  公开号：

  WO2011117382A1

文献信息

• [EN] PYRIDYLTRIAZOLES<br/>[FR] PYRIDYLTRIAZOLES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011117382A1

  公开（公告）日：2011-09-29

  The present invention encompasses compounds of general formula (1) wherein the groups R0 to R3 and L are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  本发明涵盖了一般式（1）中的化合物，其中基团R0至R3和L的定义如索赔1中所述，适用于治疗以细胞过度或异常增殖为特征的疾病，包括含有这种化合物的药物制剂以及它们作为药物的用途。
• B-RAF KINASE INHIBITORS
  申请人：Steurer Steffen

  公开号：US20130190286A1

  公开（公告）日：2013-07-25

  The present invention encompasses compounds of general formula (1) where in the groups R 0 to R 3 and L are defined as in claim 1 , which are suitable for the 5 treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain compounds of this kind and their use as medicaments.

  本发明涵盖了通式（1）的化合物，其中R0到R3和L的定义如权利要求1所述，适用于治疗由过度或异常细胞增殖所特征的疾病，包含这种化合物的制药制剂以及它们作为药物的使用。
• PYRIDYLTRIAZOLES
  申请人：Ettmayer Peter

  公开号：US20130225562A1

  公开（公告）日：2013-08-29

  The present invention encompasses compounds of general formula (1) wherein the groups R 0 to R 3 and L are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  本发明涵盖通式（1）的化合物，其中R0至R3和L基团的定义如权利要求1所述，适用于治疗由过度或异常细胞增殖特征的疾病，包含这种化合物的制药制剂以及它们作为药物的用途。
• Synthesis and Phosphorylation of 2-, 3-, and 4-Halomethyl-5-tert-butylfurans
  作者：L. M. Pevzner

  DOI：10.1023/b:rugc.0000031868.97123.e1

  日期：2004.4

  Synthetic methods for preparing of 2-, 3-, and 4-halomethyl-5-tert-butylfurans are developed. It was established that the bromination of 3- and 4-methyl-2-tert-butylfurans with N-bromosuccinimide proceeds mainly at the free alpha-position of the furan ring, and not at the methyl group. Therefore, the target halomethylfurans were prepared through the corresponding 3- and 4-methoxymethyl derivatives. The obtained five products were phosphorylated with sodium diethyl phosphite under the conditions of the Michaelis-Becker reaction to give the corresponding phosphonates.
• Reactions of alkyl (halomethyl)furancarboxylates with hexamethylenetetramine
  作者：I. M. Lapina、L. M. Pevzner、A. A. Potekhin

  DOI：10.1134/s1070363206080251

  日期：2006.8

  All isomers of (aminomethyl)furancarboxylic acids were prepared by the Delepine reaction from alkyl (halomethyl)furancarboxylates. Treatment of the initially formed quaternary salt with an ethanolic HCl solution yielded the salts of the corresponding unstable amino acid esters. A procedure for their purification to a high degree of purity was developed. Hydrolysis of the crude esters yielded stable amino acid salts.