2-(3,5-二甲氧基苯基)-5-(4-氟苯基)-戊烷 | 52763-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3,5-二甲氧基苯基)-5-(4-氟苯基)-戊烷
• 英文名称: 2-(3,5-Dimethoxyphenyl)-5-(4-fluorphenyl)-pentan
• 英文别名: 2-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-pentane；2-(3,5-dimethoxyphenyl)-5-(p-fluorophenyl)pentane；1-[5-(4-fluorophenyl)pentan-2-yl]-3,5-dimethoxybenzene
• CAS: 52763-25-4
• 化学式: C₁₉H₂₃FO₂
• 分子量: 302.389
• InChiKey: YQQPIJQDVATYIV-UHFFFAOYSA-N

物化性质

• 沸点：
  405.0±45.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3,5-二甲氧基苯基)-5-(4-氟苯基)-戊烷 在 氢溴酸 、 溶剂黄146 作用下， 生成 2-(3,5-dihydroxyphenyl)-5-(4-fluorophenyl)pentane
  参考文献：
  名称：

  源自大麻素的药物。5. delta6a，10a-四氢大麻酚和含有芳香族侧链的杂环类似物。

  摘要：

  十个新的带有芳烷基侧链的delta6a，10a-THC类似物，一个带有二甲基氨基烷基侧链，和六个杂环的delta6a，10a-THC类似物[8-取代的5,5-二甲基-10-羟基-2-（2-丙炔基）制备了-1,1,2,3,4-四氢-5H- [1]苯并吡喃并[4,3-c]吡啶。他们显示出作为止痛剂，镇定剂，抗高血压药和催眠药以及抗分泌，抗溃疡和止泻药的药理活性。最有效的化合物具有1-甲基-4-（4-氟苯基）丁基或1,2-二甲基-4-（4-氟苯基）丁基侧链。

  DOI：

  10.1021/jm00226a003
• 作为产物：
  描述：

  4-氟苯丙醇 在 三溴化磷 作用下， 以 四氯化碳 为溶剂， 生成 2-(3,5-二甲氧基苯基)-5-(4-氟苯基)-戊烷
  参考文献：
  名称：

  源自大麻素的药物。5. delta6a，10a-四氢大麻酚和含有芳香族侧链的杂环类似物。

  摘要：

  十个新的带有芳烷基侧链的delta6a，10a-THC类似物，一个带有二甲基氨基烷基侧链，和六个杂环的delta6a，10a-THC类似物[8-取代的5,5-二甲基-10-羟基-2-（2-丙炔基）制备了-1,1,2,3,4-四氢-5H- [1]苯并吡喃并[4,3-c]吡啶。他们显示出作为止痛剂，镇定剂，抗高血压药和催眠药以及抗分泌，抗溃疡和止泻药的药理活性。最有效的化合物具有1-甲基-4-（4-氟苯基）丁基或1,2-二甲基-4-（4-氟苯基）丁基侧链。

  DOI：

  10.1021/jm00226a003

文献信息

• 2,4,7-substituted 5-hydroxy benzopyrans and esters
  申请人：Abbott Laboratories

  公开号：US03947462A1

  公开（公告）日：1976-03-30

  2,4,7-Substituted 5-hydroxy benzopyrans and dihydrobenzopyrans and their esters represented by the formulae ##SPC1## Wherein each R.sub.1 is loweralkyl, and R.sub.2 is hydrogen, loweralkanoyl or ##SPC2## With Y being a straight or branched chain alkylene group having from 1-8 carbon atoms; a is an integer from 1-4; b is an integer from 1-4; X is CH.sub.2, O, S, or NR.sub.5 with R.sub.5 being hydrogen or loweralkyl, with the limitation that when X is O, S, or NR.sub.5, the sum of a and b is 3 or 4 and R.sub.4 is hydrogen or loweralkyl; and R.sub.3 is ##SPC3## With Y' being a straight or branched chain alkylene group having from 1-10 carbon atoms; and each R.sub.7, R.sub.8 and R.sub.9 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl and the pharmaceutically acceptable salts thereof.

  2,4,7-取代的5-羟基苯并吡喃和二氢苯并吡喃及其酯的化学式如下所示：其中每个R.sub.1是较低的烷基，R.sub.2是氢，较低的烷酰基或##SPC2##，Y是具有1-8个碳原子的直链或支链烷基基团；a是1-4之间的整数；b是1-4之间的整数；X是CH.sub.2，O，S或NR.sub.5，其中R.sub.5是氢或较低的烷基，限制条件是当X为O，S或NR.sub.5时，a和b的总和为3或4，R.sub.4是氢或较低的烷基；R.sub.3是##SPC3##，其中Y'是具有1-10个碳原子的直链或支链烷基基团；每个R.sub.7，R.sub.8和R.sub.9是氢，卤素，三氟甲基或较低的烷基的相同或不同成员，以及其药用可接受的盐。
• Heterocyclic esters of alkylphenyl benzopyranopyridines
  申请人：Abbott Laboratories

  公开号：US04081449A1

  公开（公告）日：1978-03-28

  Heterocyclic esters of alkylphenyl benzopyranopyridines represented by the formula ##STR1## wherein R.sub.1 is hydrogen, loweralkyl, loweralkanoyl, cycloalkylloweralkyl, cycloalkylloweralkanoyl, loweralkenyl, loweralkynyl, haloloweralkenyl, phenylloweralkyl, phenylloweralkenyl or phenylloweralkynyl; R.sub.2 is loweralkyl; R.sub.3 is ##STR2## WHEREIN X is a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4 and Z is CH.sub.2, O, S or NR.sub.7, with R.sub.7 being hydrogen or loweralkyl, with the limitation that when X is O, S or NR.sub.7, the sum of a and b is 3 or 4; and R.sub.8 is hydrogen or loweralkyl; Y is a straight or branched chain alkylene group having from one to ten carbon atoms; and each R.sub.4 and R.sub.5 and R.sub.6 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and the pharmaceutically acceptable acid addition salts thereof.

  以式##STR1##所代表的烷基苯基苯并吡啶酮的杂环酯，其中R.sub.1是氢、低烷基、低烷酰、环烷基低烷基、环烷基低烷酰、低烯基、低炔基、卤代低烯基、苯基低烷基、苯基低烯基或苯基低炔基；R.sub.2是低烷基；R.sub.3是##STR2##其中X是具有1至8个碳原子的直链或支链烷基基团，a是1到4的整数，b是1到4的整数，Z是CH.sub.2、O、S或NR.sub.7，其中R.sub.7是氢或低烷基，限制条件是当X为O、S或NR.sub.7时，a和b的总和为3或4；R.sub.8是氢或低烷基；Y是具有1到10个碳原子的直链或支链烷基基团；每个R.sub.4和R.sub.5和R.sub.6是相同或不同的成员，包括氢、卤素、三氟甲基或低烷基；以及其药用可接受的酸盐。
• Anesthesia methods using benzopyrans and esters thereof as
  申请人：Abbott Laboratories

  公开号：US04025630A1

  公开（公告）日：1977-05-24

  Improved anesthesia methods comprising pretreating a patient to be anesthetized with a benzopyran of formula I ##STR1## wherein, in the C ring, X is NR.sub.1, S, CH.sub.2 or ##STR2## R.sub.1 is hydrogen, loweralkyl, loweralkenyl, loweralkynyl, loweralkanoyl, cycloalkyloweralkyl, cycloalkylloweralkanoyl, cycloalkyl, haloloweralkyl, haloloweralkenyl, phenylloweralkyl, phenyloweralkenyl or phenyloweralkylnyl; m is an integer from 0 to 3, n is an integer from 0 to 3 and n + m = 2 or 3; or the C ring is quinuclidine ring ##STR3## R.sub.2 is loweralkyl; R.sub.3 is hydrogen or ##STR4## wherein Y is a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4, Z is CH.sub.2, O, S or NR.sub.6, R.sub.6 being hydrogen or loweralkyl, with the limitation that when Z is O, S or NR.sub.5, the sum of a and b is 3 or 4, and R.sub.5 is hydrogen or loweralkyl; R.sub.4 is C.sub.1 -C.sub.20 straight or branched chain alkyl, cycloalkyl, or ##STR5## wherein Y is a straight or branched chain alkylene group having from one to ten carbon atoms, and each R.sub.7, R.sub.8 and R.sub.9 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and the pharmaceutically acceptable salts thereof, with the limitation that when X is ##STR6## m = 2 and n = 2, R.sub.3 cannot be hydrogen.

  改进的麻醉方法包括使用化学式I的苯并吡喃预处理待麻醉的患者 其中，在C环中，X是NR.sub.1，S，CH.sub.2或##STR2## R.sub.1是氢，低烷基，低烯基，低炔基，低酰基，环烷基低烷基，环烷基低酰基，环烷基，卤代低烷基，卤代低烯基，苯基低烷基，苯基低烯基或苯基低烷基; m是0到3的整数，n是0到3的整数，n + m = 2或3;或C环是喹啉环##STR3## R.sub.2是低烷基; R.sub.3是氢或##STR4##其中Y是具有1至8个碳原子的直链或支链烷基基团，a是1到4的整数，b是1到4的整数，Z是CH.sub.2，O，S或NR.sub.6，R.sub.6为氢或低烷基，限制是当Z为O，S或NR.sub.5时，a和b的总和为3或4，R.sub.5为氢或低烷基; R.sub.4是C.sub.1-C.sub.20直链或支链烷基，环烷基，或##STR5##其中Y是具有1到10个碳原子的直链或支链烷基基团，每个R.sub.7，R.sub.8和R.sub.9是氢，卤素，三氟甲基或低烷基的相同或不同成员;及其药用盐，限制是当X为##STR6##时，m = 2，n = 2，R.sub.3不能是氢。
• Heterocyclic esters of alkylphenyl benzopyrans
  申请人：Abbott Laboratories

  公开号：US04049653A1

  公开（公告）日：1977-09-20

  Heterocyclic esters of benzopyrans represented by the formula ##STR1## wherein n is 1 or 2; each R and R.sub.1 are the same or different members of the group consisting of hydrogen or loweralkyl; R.sub.2 is loweralkyl; R.sub.3 is ##STR2## WITH Y' being a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4, X is CH.sub.2, O, S or NR.sub.7 with R.sub.7 being hydrogen or loweralkyl, with the limitation that when X is O, S, or NR.sub.7, a and b each must be 2; R.sub.8 is hydrogen or loweralkyl; Y is a straight or branched chain alkylene group having from one to ten carbon atoms; and each R.sub.4 and R.sub.5 and R.sub.6 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and the pharmaceutically acceptable salts thereof.

  苯并吡喃的杂环酯化合物，其分子式如下：##STR1## 其中n为1或2；每个R和R.sub.1是氢或低碳基的相同或不同成员；R.sub.2是低碳基；R.sub.3是##STR2## 其中Y'是一条直链或支链烷基，具有1到8个碳原子，a是1到4的整数，b是1到4的整数，X是CH.sub.2、O、S或NR.sub.7，其中R.sub.7为氢或低碳基，但当X为O、S或NR.sub.7时，a和b必须是2；R.sub.8是氢或低碳基；Y是一条直链或支链烷基，具有1到10个碳原子；每个R.sub.4和R.sub.5和R.sub.6是氢、卤素、三氟甲基或低碳基的相同或不同成员；以及其药学上可接受的盐。
• 5H-[1]Benzopyrano[3,4-d]pyridines
  申请人：Abbott Laboratories

  公开号：US04254116A1

  公开（公告）日：1981-03-03

  5H-[1]Benzopyrano[3,4-d]pyridines represented by the formula ##STR1## wherein each R.sub.1 is loweralkyl, R.sub.2 is alkyl, cycloalkyl or ##STR2## wherein Y is a straight or branched chain alkylene group having from 1 to 10 carbon atoms and each R.sub.4, R.sub.5 and R.sub.6 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and R.sub.3 is hydroxy, acyloxy, loweralkoxy, loweralkenyloxy, loweralkynyloxy or ##STR3## X is a straight or branched chain alkylene group having from one to eight carbon atoms, and wherein R.sub.7 and R.sub.8 are the same or different members of the group consisting of hydrogen or loweralkyl, or ##STR4## wherein X is a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4, Z is CH.sub.2, O, S or NR.sub.10 with R.sub.10 being hydrogen or loweralkyl, with the limitation that when Z is O or S, the sum of a and b is 3 or 4; and when Z is NR.sub.10, the sum of a and b is 3-5; R.sub.9 is hydrogen or loweralkyl, and the pharmaceutically acceptable salts thereof.

  公式为：5H-[1]苯并吡喃并[3,4-d]吡啶，其中每个R1是低碳基，R2是烷基、环烷基或##STR2##，其中Y是直链或支链烷基，具有1-10个碳原子，每个R4、R5和R6是氢、卤素、三氟甲基或低碳基的相同或不同成员；R3是羟基、酰氧基、低碳氧基、低碳烯氧基、低碳炔氧基或##STR3##，X是直链或支链烷基，具有1-8个碳原子，其中R7和R8是氢或低碳基的相同或不同成员，或##STR4##，其中X是直链或支链烷基，具有1-8个碳原子，a为1-4的整数，b为1-4的整数，Z为CH2、O、S或NR10，其中R10为氢或低碳基，但当Z为O或S时，a和b之和为3或4；当Z为NR10时，a和b之和为3-5；R9为氢或低碳基，以及其药学上可接受的盐。