methyl 2-carbomethoxy-3-(2-trimethylsilyl-furan-4-yl)-2-propenoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 2-carbomethoxy-3-(2-trimethylsilyl-furan-4-yl)-2-propenoate
• 英文别名: methyl 2-carbomethoxy-3-(2-trimethylsilyl-4-furyl)-2-propenoate；Dimethyl 2-[(5-trimethylsilylfuran-3-yl)methylidene]propanedioate
• 化学式: C₁₃H₁₈O₅Si
• 分子量: 282.368
• InChiKey: BRFZFTGJUBZHKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  哌啶 、 2-(trimethylsilyl)-4-furaldehyde 、 丙二酸二甲酯 在 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 2-carbomethoxy-3-(2-trimethylsilyl-furan-4-yl)-2-propenoate
  参考文献：
  名称：

  4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha

  摘要：

  化合物的化学式1和化学式2如下：##STR1## 其中R.sub.1为H或含有1至20个碳原子的烷基，CO--R.sub.1 * CO--O--R.sub.1 * CO--NH--R.sub.1 *或PO(OR.sub.1 *).sub.2或PO(OR.sub.1 *)R.sub.1 *，其中R.sub.1 *独立地为含有1至20个碳原子的烷基、苯基或取代苯基；X为至少含有5个碳原子的长链烷基、至少含有5个碳原子的长链烷基取代的芳基、或至少含有5个碳原子的长链烷基取代的取代芳基；Y为COOH、COOR.sub.2、CONH.sub.2、CONHR.sub.2、CON(R.sub.2).sub.2、CHO、COR.sub.2、COCF.sub.3、COCHF.sub.2、CH.dbd.NR.sub.2、CR.sub.2.dbd.N--R.sub.2、CH.dbd.N--NHR.sub.2、CH.dbd.N--N(R.sub.2).sub.2、CH.dbd.NOH、CR.sub.2.dbd.N--OH、CH.dbd.NOR.sub.2、CR.sub.2.dbd.NOR.sub.2、CH.sub.2OH、CHR.sub.2OH、C(R.sub.2).sub.2OH、CH.sub.2OR.sub.2*CHR.sub.2OR.sub.2*C(R.sub.2).sub.2OR.sub.2*SO.sub.2R.sub.2、PO(OR.sub.3).sub.2和PS(OR.sub.3).sub.2，其中R.sub.2独立地为烷基、苯基或取代苯基，R.sub.2 *为烷基、苯基、取代苯基、烷酰基或芳酰基，R.sub.3为H、烷基、苯基或取代苯基；W为H、烷基、苯基、COOH、COOR.sub.4、CONHR.sub.4、CON(R.sub.4).sub.2；Z为H或烷基。这些化合物具有抗炎活性。

  公开号：

  US05013850A1

文献信息

• 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha
  申请人：Allergan, Inc.

  公开号：US05013850A1

  公开（公告）日：1991-05-07

  Compounds of Formula 1, and of Formula 2, ##STR1## in which R.sub.1 is H or alkyl of 1 to 20 carbon, CO--R.sub.1 * CO--O--R.sub.1 * CO--NH--R.sub.1 * or PO(OR.sub.1 *).sub.2 or PO(OR.sub.1 *)R.sub.1 * where R.sub.1 * independently is alkyl of 1 to 20 carbons, phenyl, or substituted phenyl; X is long chain alkyl having at least 5 carbon atoms, long chain alkyl of at least 5 carbons substituted with an aryl group, or long chain alkyl of at least 5 carbons substituted with a substituted aryl group; Y is COOH, COOR.sub.2, CONH.sub.2, CONHR.sub.2, CON(R.sub.2).sub.2, CHO, COR.sub.2 ; COCF.sub.3, COCHF.sub.2, CH.dbd.NR.sub.2, CR.sub.2 .dbd.N--R.sub.2, CH.dbd.N--NHR.sub.2, CH.dbd.N--N(R.sub.2).sub.2, CH.dbd.NOH, CR.sub.2 .dbd.N--OH, CH.dbd.NOR.sub.2, CR.sub.2 .dbd.NOR.sub.2, CH.sub.2 OH, CHR.sub.2 OH, C(R.sub.2).sub.2 OH, CH.sub.2 OR.sub.2 * CHR.sub.2 OR.sub.2 * C(R.sub.2).sub.2 OR.sub.2 * SO.sub.2 R.sub.2, PO(OR.sub.3).sub.2, and PS(OR.sub.3).sub.2, where R.sub.2 independently is alkyl, phenyl, or substituted phenyl, R.sub.2 * is alkyl, phenyl, substituted phenyl, alkanoyl, or aroyl, and R.sub.3 is H, alkyl, phenyl or substituted phenyl; W is H, alkyl, phenyl, COOH, COOR.sub.4, CONHR.sub.4, CON(R.sub.4).sub.2, and Z is H or alkyl, are disclosed. The compounds possess anti-inflammatory activity.

  化合物的化学式1和化学式2如下：##STR1## 其中R.sub.1为H或含有1至20个碳原子的烷基，CO--R.sub.1 * CO--O--R.sub.1 * CO--NH--R.sub.1 *或PO(OR.sub.1 *).sub.2或PO(OR.sub.1 *)R.sub.1 *，其中R.sub.1 *独立地为含有1至20个碳原子的烷基、苯基或取代苯基；X为至少含有5个碳原子的长链烷基、至少含有5个碳原子的长链烷基取代的芳基、或至少含有5个碳原子的长链烷基取代的取代芳基；Y为COOH、COOR.sub.2、CONH.sub.2、CONHR.sub.2、CON(R.sub.2).sub.2、CHO、COR.sub.2、COCF.sub.3、COCHF.sub.2、CH.dbd.NR.sub.2、CR.sub.2.dbd.N--R.sub.2、CH.dbd.N--NHR.sub.2、CH.dbd.N--N(R.sub.2).sub.2、CH.dbd.NOH、CR.sub.2.dbd.N--OH、CH.dbd.NOR.sub.2、CR.sub.2.dbd.NOR.sub.2、CH.sub.2OH、CHR.sub.2OH、C(R.sub.2).sub.2OH、CH.sub.2OR.sub.2*CHR.sub.2OR.sub.2*C(R.sub.2).sub.2OR.sub.2*SO.sub.2R.sub.2、PO(OR.sub.3).sub.2和PS(OR.sub.3).sub.2，其中R.sub.2独立地为烷基、苯基或取代苯基，R.sub.2 *为烷基、苯基、取代苯基、烷酰基或芳酰基，R.sub.3为H、烷基、苯基或取代苯基；W为H、烷基、苯基、COOH、COOR.sub.4、CONHR.sub.4、CON(R.sub.4).sub.2；Z为H或烷基。这些化合物具有抗炎活性。