4-羟甲基-5-叔丁基呋喃-2-羧酸 | 701216-61-7

• 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-羟甲基-5-叔丁基呋喃-2-羧酸
• 英文名称: 4-hydroxymethyl-5-tert-butylfuran-2-carboxylic acid
• 英文别名: 4-Hydroxymethyl-5-t-butylfuran-2-carboxylic acid；5-tert-butyl-4-(hydroxymethyl)furan-2-carboxylic acid
• CAS: 701216-61-7
• 化学式: C₁₀H₁₄O₄
• 分子量: 198.219
• InChiKey: NJRIKEHHRWFGAO-UHFFFAOYSA-N

物化性质

• 沸点：
  247.1±10.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-羟甲基-5-叔丁基呋喃-2-羧酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 7.0h， 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：

  methyl 4-acetoxymethyl-5-tert-butylfuran-2-carboxylate 在 氢氧化钾 作用下， 以 水 为溶剂， 反应 6.0h， 以5.2 g的产率得到4-羟甲基-5-叔丁基呋喃-2-羧酸
  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

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。
• [EN] B-RAF KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE B-RAF
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011117381A1

  公开（公告）日：2011-09-29

  The present invention encompasses compounds of general formula (1) where in the groups R0to R3 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.

  本发明涵盖了一般式（1）中的化合物，其中基团R0至R3和L的定义如权利要求书中所述，这些化合物适用于治疗以细胞过度或异常增殖为特征的疾病，包含这种化合物的药物制剂以及它们作为药物的用途。
• Ethylamine derivatives
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20030176643A1

  公开（公告）日：2003-09-18

  Ethylamine derivatives that function as a motilin receptor antagonist and are useful as medicines are represented by the general formula (1): 1 wherein R 1 represents a phenyl group or the like, R 2 represents a hydrogen atom and the like, R 3 represents a hydrogen atom and the like, R 4 represents a hydrogen atom and the like, R 5 represents an alkyl group and the like, R 7 represents a hydrogen atom and the like and R 8 represents a heterocyclic ring and the like; or a hydrate or pharmaceutically acceptable salt thereof.

  具有作为胃动素受体拮抗剂并且用作药物的乙胺衍生物的一般式（1）表示如下：其中R1代表苯基或类似物，R2代表氢原子或类似物，R3代表氢原子或类似物，R4代表氢原子或类似物，R5代表烷基或类似物，R7代表氢原子或类似物，R8代表杂环环和类似物；或其水合物或药学上可接受的盐。
• 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。