1,2-Dihydro-10-hydroxy-8-(3-methyl-2-octyl)-5-oxo-3H,5H-thiopyrano[2,3-c] [1]benzopyran | 50708-94-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1,2-Dihydro-10-hydroxy-8-(3-methyl-2-octyl)-5-oxo-3H,5H-thiopyrano[2,3-c] [1]benzopyran
• 英文别名: 1,2-Dihydro-10-hydroxy-8-(3-methyl-2-octyl)-5-oxo-3H,5H-thiopyrano[2,3-c][1]benzopyran；10-hydroxy-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
• CAS: 50708-94-6
• 化学式: C₂₁H₂₈O₃S
• 分子量: 360.518
• InChiKey: PDOUEMGTYVCKQM-UHFFFAOYSA-N

物化性质

• 沸点：
  538.8±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(1,2-dimethylheptyl)resorcinol 、 四氢-3-氧代-6H-噻喃-2-甲酸甲酯 以 甲醇 、 乙醇 、 氯仿 为溶剂， 生成 1,2-Dihydro-10-hydroxy-8-(3-methyl-2-octyl)-5-oxo-3H,5H-thiopyrano[2,3-c] [1]benzopyran
  参考文献：
  名称：

  Method of treating hypertension with, and compositions useful therein

  摘要：

  通过给予1,2-二氢-4,4-二甲基-9-羟基-7-(3-甲基-2-辛基)-4H-噻吩并[2,3-c][1]苯并吡喃或1,2-二氢-5,5-二甲基-10-羟基-8-(3-甲基-2-辛基)-3H,5H-噻吩并[2,3-c][1]苯并吡喃来减少高血压哺乳动物患者的血压的方法。含有1,2-二氢-4,4-二甲基-9-羟基-7-(3-甲基-2-辛基)-4H-噻吩并[2,3-c][1]苯并吡喃或1,2-二氢-5,5-二甲基-10-羟基-8-(3-甲基-2-辛基)-3H,5H-噻吩并[2,3-c][1]苯并吡喃的制药载体分散的制药组合物。

  公开号：

  US03987190A1

文献信息

• Method of treating hypertension with, and compositions useful therein
  申请人：Sharps Associates

  公开号：US03987190A1

  公开（公告）日：1976-10-19

  A method of reducing blood pressure in a hypertensive mammalian patient by administering 1,2-dihydro-4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4H-thieno[2,3-c][1 ]benzopyran or 1,2-dihydro-5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-3H,5H-thiopyrano- 8 2,3-c][1]benzopyran. Pharmaceutical compositions containing 1,2-dihydro-4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4H-thieno[2,3-c][1 ]benzopyran or 1,2-dihydro-5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-3H,5H-thiopyrano[ 2,3-c][1]benzopyran dispersed in a pharmaceutical carrier.

  通过给予1,2-二氢-4,4-二甲基-9-羟基-7-(3-甲基-2-辛基)-4H-噻吩并[2,3-c][1]苯并吡喃或1,2-二氢-5,5-二甲基-10-羟基-8-(3-甲基-2-辛基)-3H,5H-噻吩并[2,3-c][1]苯并吡喃来减少高血压哺乳动物患者的血压的方法。含有1,2-二氢-4,4-二甲基-9-羟基-7-(3-甲基-2-辛基)-4H-噻吩并[2,3-c][1]苯并吡喃或1,2-二氢-5,5-二甲基-10-羟基-8-(3-甲基-2-辛基)-3H,5H-噻吩并[2,3-c][1]苯并吡喃的制药载体分散的制药组合物。
• Intermediates for the preparation of thienobenzopyrans and
  申请人：Arthur D. Little, Inc.

  公开号：US03940421A1

  公开（公告）日：1976-02-24

  Novel thienobenzopyrans and thiopyranobenzopyrans represented by the formula ##SPC1## Wherein m and n are each 0, 1, 2 or 3 and m + n is 2 or 3; R.sub.1 is loweralkyl; R.sub.2 is alkyl or cycloalkylloweralkyl and R.sub.3 is hydrogen, loweralkyl, loweralkanoyl, carbamyl, N-loweralkylcarbamyl, N,N-diloweralkylcarbamyl, phosphonyl, hemisuccinate or an ester of another such acid, phosphate, dialkylaminoalkyl of the structure ##EQU1## or acid addition salt thereof, or dialkylaminoalkylanoyl of the structure ##EQU2## or acid addition salt thereof, wherein x is 1 through 6 and R.sub.4 and R.sub.5 are loweralkyl; the loweralkyl groups containing from 1 through 6 carbon atoms, the alkyl groups containing from 1 through 20 carbon atoms and the cycloalkyl groups containing from 3 through 8 ring carbon atoms. Novel intermediates for the synthesis of these compounds are also disclosed as well as methods for making the compounds.

  该专利涉及一种新型的噻吩并苯并吡喃和噻吩并苯并噻吩喹啉类化合物，其化学式为##SPC1##其中m和n分别为0、1、2或3，且m+n为2或3；R.sub.1为低碳基；R.sub.2为烷基或环烷基低碳基，R.sub.3为氢、低碳基、低碳酰基、氨基甲酰基、N-低碳基氨基甲酰基、N,N-二低碳基氨基甲酰基、磷酸酯、半琥珀酸或另一种酸的酯、磷酸酯、结构为##EQU1##的二烷基氨基烷基或其酸加成盐，或结构为##EQU2##的二烷基氨基烷酰基或其酸加成盐，其中x为1到6，R.sub.4和R.sub.5为低碳基；低碳基含1到6个碳原子，烷基含1到20个碳原子，环烷基含3到8个环碳原子。该专利还公开了合成这些化合物的新型中间体以及制备这些化合物的方法。
• Esters of thienobenzopyrans and thiopyranobenzopyrans
  申请人：Sharps Associates

  公开号：US03960871A1

  公开（公告）日：1976-06-01

  Novel thienobenzopyran and thiopyranobenzopyran esters represented by the formula ##SPC1## Wherein n is 0 to 3 and m is 0 to 3 and m + n = 2 or 3, R.sub.1 is lower alkyl, R.sub.2 is alkyl or cycloalkyl-lower alkyl, R.sub.4 is hydrogen or lower alkyl, R.sub.5 is hydrogen or lower alkyl, and R.sub.3 is ##EQU1## wherein Y is a straight or branched chain C.sub.1 to C.sub.8 alkylene, R.sub.6 is hydrogen or a lower alkyl, 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 wherein R.sub.7 is hydrogen or lower alkyl, with the limitation that when X is O, S or NR.sub.7, a and b each must be 2; and the acid addition salts thereof.

  该式表示的是新型噻唑苯并吡喃和噻唑苯并吡喃酯，其中n为0至3，m为0至3，且m+n=2或3，R1为低碳基，R2为烷基或环烷基-低碳基，R4为氢或低碳基，R5为氢或低碳基，R3为##EQU1##其中Y是直链或支链C1至C8烷基，R6为氢或低碳基，a为1至4的整数，b为1至4的整数，X为CH2、O、S或NR7，其中R7为氢或低碳基，但当X为O、S或NR7时，a和b必须均为2；以及其酸加成盐。
• Morpholine containing esters of thienobenzopyrans and
  申请人：Sharps Associates

  公开号：US03972880A1

  公开（公告）日：1976-08-03

  Novel thienobenzopyran and thiopyranobenzopyran esters represented by the formula ##SPC1## Wherein n is 0 to 3 and m is 0 to 3 and m + n = 2 or 3, R.sub.1 is lower alkyl, R.sub.2 is alkyl or cycloalkyl-lower alkyl, R.sub.4 is hydrogen or lower alkyl, R.sub.5 is hydrogen or lower alkyl, and R.sub.3 is ##EQU1## wherein Y is a straight or branched chain C.sub.1 to C.sub.8 alkylene, R.sub.6 is hydrogen or a lower alkyl, 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 wherein R.sub.7 is hydrogen or lower alkyl, with the limitation that when X is O, S or NR.sub.7, a and b each must be 2; and the acid addition salts thereof.

  本发明涉及一种由以下公式表示的新型噻吩并苯并噻吩酯：##SPC1## 其中n为0至3，m为0至3且m + n = 2或3，R.sub.1为低碳基，R.sub.2为烷基或环烷基-低碳基，R.sub.4为氢或低碳基，R.sub.5为氢或低碳基，且R.sub.3为##EQU1## 其中Y为直链或支链的C.sub.1至C.sub.8烷基，R.sub.6为氢或低碳基，a为1至4的整数，b为1至4的整数，X为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必须各为2；以及其酸加成盐。
• 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。