7-(1,2-dimethyl-heptyl)-4,4-dimethyl-1,2,3,4-tetrahydro-cyclopenta[c]chromen-9-ol | 35570-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-(1,2-dimethyl-heptyl)-4,4-dimethyl-1,2,3,4-tetrahydro-cyclopenta[c]chromen-9-ol
• 英文别名: 4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4,12,13-hexahydrocyclopenta[c][1]benzopyran；4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][1]benzopyran；1,2,3,4-Tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)cyclopenta(c)(1)benzopyran-9-ol；4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
• CAS: 35570-59-3
• 化学式: C₂₃H₃₄O₂
• 分子量: 342.522
• InChiKey: ZJNVIVRSORGHEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-(1,2-dimethyl-heptyl)-4,4-dimethyl-1,2,3,4-tetrahydro-cyclopenta[c]chromen-9-ol 、 乙酸酐 在 吡啶 、 水 、 乙醚 、 盐酸 、 Sodium sulfate-III 作用下， 以 吡啶 为溶剂， 反应 2.0h， 生成 9-Acetoxy-4,4-dimethyl-7-(1,2-dimethylheptyl)-1,2,3,4-tetrahydrocyclopenta[c][l] benzopyran
  参考文献：
  名称：

  Oxo C-ring benzopyrans

  摘要：

  公式为##STR1##的苯并吡喃类化合物，其中n表示0或1，R是1至20个碳原子的烷基，芳基-低烷基或环烷基-低烷基，R.sub.1是氢或##STR2##其中R.sub.4是低烷基，苯基，环烷基-低烷基或芳基-低烷基，R.sub.2是低烷基，R.sub.3是氢或一或两个低烷基，含有该化合物的制药组合物，以及该化合物作为镇静剂和镇痛剂的用途。

  公开号：

  US04051152A1

文献信息

• Drugs derived from cannabinoids. 2. Basic esters of nitrogen and carbocyclic analogs
  作者：Raj K. Razdan、B. Zitko Terris、Harry G. Pars、Nicholas P. Plotnikoff、Patrick W. Dodge、Anthony T. Dren、Jaroslav Kyncl、Peter Somani

  DOI：10.1021/jm00226a002

  日期：1976.4

  Various basic esters of nitrogen (2) and carbocyclic (3 and 4) analogs of cannabinoids were synthesized using dicyclohexylcarbodiimide in methylene chloride. The compounds in the three series werw studied in selected pharmacological tests in mice, rats, dogs, and cats. It was shown that making the basic ester from the phenol retains biological activity and can lead to a greater selectivity of action

  使用二环己基碳二亚胺在二氯甲烷中合成了大麻素的氮的各种碱性酯（2）和碳环的碳酸酯（3和4）类似物。这三个系列化合物中的化合物已在小鼠，大鼠，狗和猫的选定药理试验中进行了研究。结果表明，由酚制备碱性酯保留了生物活性，并且可以导致更大的作用选择性，特别是抗伤害感受活性。氮类似物系列中最有趣的酯是5、6、10和14，碳环系列中的酯是19和20。在扭体，热板和甩尾试验中，化合物5比可待因更有效，目前正在临床试验中。化合物20在小鼠音频性癫痫发作测试中非常有效，并且作为抗血管生成剂很受关注。
• Heterocyclic esters of benzopyrans
  申请人：Sharps Associates

  公开号：US03941782A1

  公开（公告）日：1976-03-02

  This invention relates to novel esters of benzopyrans represented by the formulae ##SPC1## Wherein R and R' are hydrogen or C.sub.1 -C.sub.6 alkyl and when alkyl are on the same or different carbons; R.sub.1 is C.sub.1 -C.sub.6 alkyl; R.sub.2 is C.sub.1 -C.sub.20 alkyl, lowercycloalkyloweralkyl or lowercycloalkyl; n is an integer from 3 to 7, and particularly 3 to 5; Y is a straight or branched chain C.sub.1 -C.sub.8 alkylene; and R.sub.3 is ##EQU1## WHEREIN A IS AN INTEGER FROM 1 TO 4, B IS AN INTEGER FROM 1 TO 4, X is O,S, CH.sub.2 or NR.sub.4 and R.sub.4 is hydrogen C.sub.1 -C.sub.6 alkyl, and R.sub.5 is hydrogen or C.sub.1 -C.sub.6 alkyl; and the acid addition salts thereof. The compounds exhibit analgesic and central nervous system activity.

  本发明涉及一种新型苯并吡喃酸酯，其化学式为：##SPC1## 其中，R和R'为氢或C.sub.1-C.sub.6烷基，当烷基在同一或不同碳上时；R.sub.1为C.sub.1-C.sub.6烷基；R.sub.2为C.sub.1-C.sub.20烷基，较低的环烷基较低的烷基或较低的环烷基；n为3至7的整数，特别是3至5；Y为直链或支链C.sub.1-C.sub.8烷基；R.sub.3为##EQU1## 其中，A为1至4的整数，B为1至4的整数，X为O、S、CH.sub.2或NR.sub.4，R.sub.4为氢C.sub.1-C.sub.6烷基，R.sub.5为氢或C.sub.1-C.sub.6烷基；以及其酸盐加合物。这些化合物表现出镇痛和中枢神经系统活性。
• 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式I的苯并吡喃预处理待麻醉的患者，其中在C环中，X为NR.sub.1，S，CH.sub.2或##STR2##，R.sub.1为氢，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基；m为0至3的整数，n为0至3的整数，n + m = 2或3；或C环为喹啉环##STR3##，R.sub.2为低烷基；R.sub.3为氢或##STR4##，其中Y为直链或支链烷基链，具有1至8个碳原子，a为1至4的整数，b为1至4的整数，Z为CH.sub.2，O，S或NR.sub.6，其中R.sub.6为氢或低烷基，限制条件为当Z为O，S或NR.sub.5时，a和b的和为3或4，R.sub.5为氢或低烷基；R.sub.4为C.sub.1-C.sub.20直链或支链烷基，环烷基，或##STR5##，其中Y为具有1至10个碳原子的直链或支链烷基链，每个R.sub.7，R.sub.8和R.sub.9是相同或不同的羟基，卤素，三氟甲基或低烷基成员的群；及其药学上可接受的盐，限制条件为当X为##STR6##时，m = 2且n = 2时，R.sub.3不能为氢。
• US3941882A
  申请人：——

  公开号：US3941882A

  公开（公告）日：1976-03-02
• US3941782A
  申请人：——

  公开号：US3941782A

  公开（公告）日：1976-03-02