1-[3-(2-benzofurylmethoxy)phenyl]-1-hexanol | 121384-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1-[3-(2-benzofurylmethoxy)phenyl]-1-hexanol
• 英文别名: 1-[3-(1-benzofuran-2-ylmethoxy)phenyl]hexan-1-ol
• CAS: 121384-03-0
• 化学式: C₂₁H₂₄O₃
• 分子量: 324.42
• InChiKey: UHIAYZCONBPBNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(3-羟基苯基)己烷-1-酮 生成 1-[3-(2-benzofurylmethoxy)phenyl]-1-hexanol
  参考文献：
  名称：

  MUSSER, JOHN H.;CHAKRABORTY, UTPAL R.

  摘要：

  DOI：

文献信息

• Certain unsymmetrical quinolinyl ethers having anti-inflammatory and
  申请人：USV Pharmaceutical Corporation

  公开号：US04794188A1

  公开（公告）日：1988-12-27

  Compounds of the formula: Ar.sub.1 -X-Ar-Z-(R).sub.n' and salts thereof, wherein Ar.sub.1 is a nitrogen, sulfur or oxygen heterocyclic ring; Ar is a phenyl ring or a nitrogen, oxygen or sulfur heterocyclic ring; Ar and Ar.sub.1 may be fully substituted or less than fully substituted with H, CH.sub.3, lower alkyl, aryl, aralkyl, halo, hydroxy, lower alkoxy, CF.sub.3, carboxy, alkylcarboxy, arylcarboxy, alkylcarbalkoxy, alkanoyl, formyl, oxo, nitrilo, amino, aminoalkyl, alkylamine, carboxamide, aryloxy, nitro, sulfonyl, sulfonamide, thio, alkylthio, hydroxyalkyl or oxyalkylcarbalkoxy; X= ##STR1## of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms, ##STR2## Z is an alkylene chain containing up to 10 carbon atoms in the principal chain and a total of up to 12 carbon atoms and from 0 to 2 double bonds and the said alkylene chain may be attached to Ar through an oxygen, sulfur or amino nitrogen atom, and when n'=2, one of the R substituents may be halogen on an omega carbon of the alkylene chain Z; when n'=1, R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2 and R.sub.1, --COR.sub.4 and when n'=2 one R is previously defined and the additional R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2, --COR.sub.4, lactone and halo; R.sub.1 is H or CH.sub.3 ; R.sub.2 is H, lower alkyl, aryl or aralkyl; R.sub.3 is H, lower alkyl, lower alkanoyl, aryl, aralkyl or substituted aryl in which the substituent is halo, lower alkyl or lower alkoxy; R.sub.4 is OR.sub.2 or N(R.sub.2).sub.2 ; n=0 or 1; n'=1 to 7; and n"=0, 1 or 2.

  该公式的化合物是：Ar.sub.1 -X-Ar-Z-(R).sub.n'及其盐，其中Ar.sub.1是氮、硫或氧杂环；Ar是苯环或氮、氧或硫杂环；Ar和Ar.sub.1可能完全或部分取代为H、CH.sub.3、较低烷基、芳基、芳基烷基、卤素、羟基、较低烷氧基、CF.sub.3、羧基、烷基羧基、芳基羧基、烷基羧烷氧基、烷酰基、酰基、氧代、亚硝基、氨基、氨基烷基、烷基胺、羧酰胺、芳氧基、硝基、磺酰基、磺酰胺、硫、烷硫、羟基烷基或氧基烷氧基羧烷；X= ##STR1## 主链中最多含有2个碳原子，并且总共最多含有4个碳原子，##STR2## Z是主链中含有最多10个碳原子和总共最多12个碳原子以及0到2个双键的烷基链，该烷基链可以通过氧、硫或氨基氮原子连接到Ar上，当n'=2时，Z的烷基链上的一个R取代基可能是Z的ω碳上的卤素；当n'=1时，R是连接到Z的碳原子中的一个的取代基，选择自.dbd.O、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2和R.sub.1的群，--COR.sub.4，当n'=2时，一个R已经定义，额外的R是连接到Z的碳原子中的一个的取代基，选择自.dbd.O、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2、--COR.sub.4、内酯和卤素的群；R.sub.1是H或CH.sub.3；R.sub.2是H、较低烷基、芳基或芳基烷基；R.sub.3是H、较低烷基、较低烷酰基、芳基、芳基烷基或取代芳基，其中取代基是卤素、较低烷基或较低烷氧基；R.sub.4是OR.sub.2或N(R.sub.2).sub.2；n=0或1；n'=1到7；n"=0、1或2。
• Anti-inflammatory/anti-allergic compounds
  申请人：RHONE-POULENC RORER PHARMACEUTICALS INC.

  公开号：EP0181568A2

  公开（公告）日：1986-05-21

  Compounds of the formula: and salts thereof, wherein Ar1 is a nitrogen, sulfur, oxygen heterocyclic ring or aromatic ring; Ar is a phenyl ring or a nitrogen, oxygen or sulfur heterocyclic ring; Ar and Ar1 may be fully substituted or less than fully substituted with H, CH3, lower alkyl, aryl, aralkyl, halo, hydroxy, lower alkoxy, CF3, carboxy, alkylcarboxy, arylcarboxy, alkylcarbalkoxy, alkanoyl, formyl, oxo, nitrilo, amino, aminoalkyl, alkylamine, carboxamide, aryloxy, nitro, sulfonyl, sulfonamide, thio, or alkylthio; X = -O(CHR1)n-, , -NR2(CHR1)n-alkylene of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms, Z is an alkylene chain containing up to 10 carbon atoms in the principal chain and a total of up to 12 carbon atoms and from 0 to 2 double bonds and the said alkylene chain may be attached to Ar through an oxygen, sulfur or amino nitrogen atom, and when n'=2, one of the R substituents may be halogen on an omega carbon of the alkylene chain Z; when n'=1, R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of =0, OR3, SR3, N(R2)2 and R,, -COR4 and when n'=2 one R is previously defined and the additional R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of =O, OR3, SRa, N(R2)2, -COR4, lactone and halo; R1 is H or CH3; R2 is H, lower alkyl, aryl or aralkyl; R3 is H, lower alkyl, lower alkanoyl, aryl, aralkyl or substituted aryl in which the substituent is halo, lower alkyl or lower alkoxy; R4 is OR2 or N(R2)2; n = 0 or 1; n' = 1 to 7; and n" = 0, 1 or 2. 2. A compound of the formula: and salts thereof, wherein Ar1 is quinolyl; Ar is a phenyl, pyridyl or quinolyl ring; X = -O(CHR1)n-, -, NR2(CHR1)n-, alkylene of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms,

  式化合物及其盐类 及其盐类，其中 Ar1 是氮、硫、氧杂环或芳香环； Ar 是苯环或氮、氧或硫杂环； Ar 和 Ar1 可被 H、CH3、低级烷基、芳基、芳烷基、卤代、羟基、低级烷氧基、CF3、羧基、烷基羧基、芳基羧基、烷基羧基、烷基烷氧基、烷酰基、甲酰基、氧代、氮代、氨基、氨基烷基、烷基胺、羧酰胺、芳氧基、硝基、磺酰基、磺酰胺、硫代或烷硫基完全取代或未完全取代； X = -O(CHR1)n-、 、-NR2(CHR1)n-主链上最多 2 个碳原子且总共最多 4 个碳原子的烯烃、 当 n'=2 时，R 取代基之一可以是位于亚烷基链 Z 的欧米伽碳上的卤素； 当 n'=1 时，R 是连接到 Z 的一个碳原子上的取代基，该取代基选自由 =0、OR3、SR3、N(R2)2 和 R、-COR4 组成的组，当 n'=2 时，一个 R 如前定义，另外一个 R 是连接到 Z 的一个碳原子上的取代基，该取代基选自由 =O、OR3、SRa、N(R2)2、-COR4、内酯和卤素组成的组； R1 是 H 或 CH3； R2 是 H、低级烷基、芳基或芳烷基； R3 是 H、低级烷基、低级烷酰基、芳基、芳烷基或取代芳基，其中取代基是卤素、低级烷基或低级烷氧基； R4 是 OR2 或 N（R2）2； n = 0 或 1 n' = 1 至 7；以及 n" = 0、1 或 2。 2.式中的化合物 及其盐类、 其中 Ar1 是喹啉基； Ar 是苯基、吡啶基或醌基环； X = -O(CHR1)n-、 -、NR2(CHR1)n-、主链上最多 2 个碳原子且总共最多 4 个碳原子的亚烷基、
• MUSSER, JOHN H.;CHAKRABORTY, UTPAL R.
  作者：MUSSER, JOHN H.、CHAKRABORTY, UTPAL R.

  DOI：——

  日期：——
• US4794188A
  申请人：——

  公开号：US4794188A

  公开（公告）日：1988-12-27