2-(3-Chloropropyl)-2-thiophen-2-yl[1,3]dioxolane | 54286-40-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-Chloropropyl)-2-thiophen-2-yl[1,3]dioxolane
• 英文别名: 2-(3-chloropropyl)-2-(2-thienyl)-1,3-dioxolane；2-(3-chloropropyl)-2-thiophen-2-yl-1,3-dioxolane
• CAS: 54286-40-7
• 化学式: C₁₀H₁₃ClO₂S
• 分子量: 232.731
• InChiKey: DBCXJQQFDACOQP-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±32.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-Chloropropyl)-2-thiophen-2-yl[1,3]dioxolane 在 正丁基锂 、 三甲基氯化锡 、 碘 、 sodium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 8-{4,4-ethylenedioxy-4-[2-(5-iodothienyl)butyl]}-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  参考文献：
  名称：

  Synthesis of [123I]-8-[4-[2-(5-iodothienyl)]-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one: A potential dopamine D2 receptor radioligand for SPECT

  摘要：

  [I-123]-8-[4-[2-(5-Iodothienyl)]-4-oxobutyl]-3-methyl-1 phenyl-1,3,8-triazaspiro[4.5]-decan-4-one ((1) under bar)) has been synthesized as a potential ligand for dopamine D-2 receptors. This new compound proved to be moderate in lipophilicity (log P = 3.14) and exhibited high affinity (Ki = 1.9 nM) for the dopamine D-2 receptor as well as good selectivity for D-2 versus serotonin 5HT(2) receptors (Ki 5HT(2)/D-2 = 16.7) in vitro. The corresponding radioligand, I-123-(1) under bar, was synthesized from a thienyl tributylstannane precursor using oxidative iododestannylation methods. The radiochemical yield was 64-808 EOS (n = 5) and the purified product was >99% radiochemically purity with a specific activity >3,500 mCi/mu mol(>129,500 MBq/mu mol).

  DOI：

  10.1002/(sici)1099-1344(199805)41:5<363::aid-jlcr90>3.0.co;2-b
• 作为产物：
  描述：

  乙二醇 、 4-氯-1-(2-噻吩基)丁酮 在 对甲苯磺酸 水 、 sodium hydroxide 、 Brine 、 Sodium sulfate-III 作用下， 以 苯 为溶剂， 反应 16.0h， 以to give the title product as a dark oil (12 g, 97%)的产率得到2-(3-Chloropropyl)-2-thiophen-2-yl[1,3]dioxolane
  参考文献：
  名称：

  6-N-linked heterocycle-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists

  摘要：

  本发明提供了式I的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环作为选择性5-HT2C受体激动剂，用于治疗与5-HT2C相关的疾病，包括肥胖症、强迫症、抑郁症和焦虑症：式(I)其中：R6选择自(a、b、c、d、e)和其他取代基如规范中所定义。

  公开号：

  US07981882B2

文献信息

• 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists
  申请人：Briner Karin

  公开号：US20080214520A1

  公开（公告）日：2008-09-04

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula I as selective 5-HT 2C receptor agonists for the treatment of 5-HT 2C associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety: Formula (I) where: R 6 is selected from the group consisting of (a, b, c, d, e) and other substituents are as defined in the specification.

  本发明提供了Formula I的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环庚烯作为选择性5-HT2C受体激动剂，用于治疗与5-HT2C相关的疾病，包括肥胖症、强迫症、抑郁症和焦虑症：Formula (I)其中：R6选自(a、b、c、d、e)等基团组成的群，其他取代基如规范中定义。
• Amide derivatives
  申请人：Imperial Chemical Industries, plc

  公开号：US04528282A1

  公开（公告）日：1985-07-09

  Amide derivatives of the formula: ##STR1## wherein either R.sup.1 is aryl or heterocyclic and A.sup.1 is a direct link, or R.sup.1 is aryl or heterocyclic, or hydrogen, or halogeno, hydroxy, amino, guanidino, mercapto, carboxy, carbamoyl, or a substituted derivative thereof, and A.sup.1 is alkylene, alkenylene, cycloalkylene or cycloalkenylene; wherein X is carbonyl or hydroxymethylene or substituted derivatives thereof; wherein A.sup.2 is alkylene, alkenylene or alkylidene; wherein R.sup.2 is hydrogen or alkyl which is unsubstituted or which bears an aryl substituent, or R.sup.2 has the formula --Q.sup.2 --R.sup.20 as defined below; wherein R.sup.3 is hydrogen, alkyl or a carbonyl-containing group; wherein R.sup.4 is hydrogen or alkyl which is unsubstituted or which bears a halogeno, hydroxy, amino, guanidino, carboxy, carbamoyl, mercapto, alkoxy, alkylamino, dialkylamino, cyclic amino, alkylthio, alkanoylamino, alkoxycarbonylamino, alkoxycarbonyl, alkoxycarbonyl, aryl or heterocyclyl substituent; wherein --NR.sup.5 --CR.sup.6 R.sup.16 --Q.sup.1 --R.sup.10 is an amino acid residue, R.sup.5, R.sup.6 and R.sup.16 being defined in claim 1, wherein Q.sup.1 and Q.sup.2, which may be the same or different, each is carbonyl (--CO--) or methylene (--CH.sub.2 --); and wherein R.sup.10 and R.sup.20, which may be the same or different, is hydroxy, amino or a substituted derivative thereof or hydroxyamino or arylthio; or a salt thereof where appropriate; processes for their manufacture and pharmaceutical compositions containing them. The compounds are inhibitors of angiotensin converting enzyme and may be used in the treatment of hypertension.

  该公式的酰胺衍生物：其中R.sup.1是芳基或杂环基，A.sup.1是直链，或R.sup.1是芳基或杂环基，或氢，或卤素，或羟基，或氨基，或胍基，或巯基，或羧基，或氨基甲酰基，或其取代衍生物，A.sup.1是烷基，烯烃基，环烷基或环烯烃基；其中X是羰基或羟甲基或其取代衍生物；其中A.sup.2是烷基，烯烃基或烷基亚甲基；其中R.sup.2是氢或未取代的烷基或带有芳基取代物的烷基，或R.sup.2具有以下所定义的--Q.sup.2 --R.sup.20的结构；其中R.sup.3是氢，烷基或含有羰基的基团；其中R.sup.4是氢或未取代的烷基或带有卤素，羟基，氨基，胍基，羧基，氨基甲酰基，巯基，烷氧基，烷基氨基，二烷基氨基，环氨基，烷硫基，烷酰胺基，烷氧羰胺基，烷氧羰基，烷氧羰基，芳基或杂环基取代物；其中--NR.sup.5 --CR.sup.6 R.sup.16 --Q.sup.1 --R.sup.10是氨基酸残基，其中R.sup.5，R.sup.6和R.sup.16在权利要求书中定义，Q.sup.1和Q.sup.2，可以相同也可以不同，每个都是羰基（--CO--）或亚甲基（--CH.sub.2--）；R.sup.10和R.sup.20，可以相同也可以不同，是羟基，氨基或其取代衍生物或羟氨基或芳基硫；或其适当的盐；它们的制造方法和含有它们的药物组合物。这些化合物是抑制血管紧张素转化酶的抑制剂，可用于治疗高血压。
• 6-N-linked heterocycle-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists
  申请人：Eli Lilly and Company

  公开号：US07981882B2

  公开（公告）日：2011-07-19

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula I as selective 5-HT2C receptor agonists for the treatment of 5-HT2C associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety: Formula (I) where: R6 is selected from the group consisting of (a, b, c, d, e) and other substituents are as defined in the specification.

  本发明提供了式I的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环作为选择性5-HT2C受体激动剂，用于治疗与5-HT2C相关的疾病，包括肥胖症、强迫症、抑郁症和焦虑症：式(I)其中：R6选择自(a、b、c、d、e)和其他取代基如规范中所定义。
• 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1924578B1

  公开（公告）日：2013-11-06
• US7981882B2
  申请人：——

  公开号：US7981882B2

  公开（公告）日：2011-07-19