(2-溴苯基)(2,2-二乙氧基乙基)硫烷 | 137105-52-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: (2-溴苯基)(2,2-二乙氧基乙基)硫烷
• 英文名称: (2-bromophenyl)(2,2-diethoxyethyl)sulfane
• 英文别名: 2-(2-bromophenylthio) acetaldehyde diethyl acetal；1-bromo-2-(2,2-diethoxyethylsulfanyl)benzene
• CAS: 137105-52-3
• 化学式: C₁₂H₁₇BrO₂S
• 分子量: 305.236
• InChiKey: SDZIZUSDBKSUJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  (2-溴苯基)(2,2-二乙氧基乙基)硫烷 在 magnesium 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 、 氯苯 为溶剂， 反应 5.83h， 生成 苯并[b]呋喃-7-甲醛
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines as 5-HT2A/2C partial agonists

  摘要：

  N-Benzyl substitution of phenethylamine 5-HT2A receptor agonists has dramatic effects on binding affinity, receptor selectivity and agonist activity. In this paper we examine how affinity for the 5-HT2A/2C receptors are influenced by N-benzyl substitution of 4-bromo-2,5-dimethoxyphenethylamine derivatives. Special attention is given to the 2' and 3'-position of the N-benzyl as such compounds are known to be very potent. We found that substitutions in these positions are generally well tolerated. The 2'-position was further examined using a range of substituents to probe the hydrogen bonding requirements for optimal affinity and selectivity, and it was found that small changes in the ligands in this area had a profound effect on their affinities. Furthermore, two ligands that lack a 2'-benzyl substituent were also found to have high affinity contradicting previous held notions. Several high-affinity ligands were identified and assayed for functional activity at the 5-HT2A and 5-HT2C receptor, and they were generally found to be less efficacious agonists than previously reported N-benzyl phenethylamines. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.011
• 作为产物：
  描述：

  2-溴苯胺 生成 (2-溴苯基)(2,2-二乙氧基乙基)硫烷
  参考文献：
  名称：

  Amin, Hassan B.; Awad, Amin A.; Archer, William J., Journal of the Chemical Society. Perkin transactions II, 1982, p. 1489 - 1492

  摘要：

  DOI：

文献信息

• [EN] INHIBITORS OF THE KYNURENINE PATHWAY<br/>[FR] INHIBITEURS DE LA VOIE DE LA KYNURÉNINE
  申请人：CURADEV PHARMA PRIVATE LTD

  公开号：WO2014186035A1

  公开（公告）日：2014-11-20

  The present application provides novel inhibitors of indoleamine 2,3-dioxygenase-1 and/or indoleamine 2,3-dioxygenase-2 and/or tryptophan 2,3-dioxygenase, metabolites thereof, and phannaceutically acceptable salts or prodrugs thereof. Also provided are methods for preparing these compounds. A therapeutically effective amount of one or more of the compounds of formula (I) is useful in treating diseases resulting from dysregulation of the kynurenine pathway. Compounds of formula (I) act by inhibiting the enzymatic activity or expression of indoleamine 2,3-dioxygenase-1 and/or indoleamine 2,3-dioxygenase-2 and/or tryptophan 2,3-dioxygenase.

  本申请提供了吲哚胺2,3-双加氧酶-1和/或吲哚胺2,3-双加氧酶-2和/或色氨酸2,3-双加氧酶的新型抑制剂，以及它们的代谢物，以及药用可接受的盐或前药。还提供了制备这些化合物的方法。治疗有效量的一个或多个公式(I)的化合物可用于治疗由于色氨酸途径失调导致的疾病。公式(I)的化合物通过抑制吲哚胺2,3-双加氧酶-1和/或吲哚胺2,3-双加氧酶-2和/或色氨酸2,3-双加氧酶的酶活性或表达起作用。
• Piperidine derivatives having effects on serotonin related systems
  申请人：Eli Lilly and Company

  公开号：US06436964B1

  公开（公告）日：2002-08-20

  The present invention provides the compounds of the following formula: Wherein the variables are as defined in the specification and a method for inhibiting the reuptake of seretonin, antagonizing the 5-HT1A receptor and antagonizing the 5-HT2A receptor which comprises administering to a subject in need of such treatment an effective amount of the compound of above formula.

  本发明提供了以下通式化合物：其中变量如说明书中所定义，以及抑制血清素再摄取、拮抗5-HT1A受体和拮抗5-HT2A受体的方法，该方法包括向需要此类治疗的对象施用上述通式的有效量的化合物。
• Intramolecular Formal<i>anti</i>-Carbopalladation/Heck Reaction: Facile Domino Access to Carbo- and Heterooligocyclic Dienes
  作者：Martin Pawliczek、Bastian Milde、Peter G. Jones、Daniel B. Werz

  DOI：10.1002/chem.201502327

  日期：2015.8.24

  An intramolecular domino process consisting of a formal anti‐carbopalladation followed by Heck reaction is realized. Complex oligo(hetero)cyclic scaffolds are efficiently obtained in one synthetic step from easily obtainable enyne precursors. In contrast to common syn‐carbopalladation reactions of alkyne units, the carbopalladation employed here is designed to afford an anti‐arrangement of the two

  实现了一个分子内的多米诺过程，该过程由正式的抗卡巴巴拉定和随后的Heck反应组成。在一个合成步骤中，从容易获得的烯炔前体中有效地获得了复杂的寡（杂）环骨架。与炔烃单元的常见合成碳-钯缩合反应相反，此处采用的碳酰钯反应旨在提供两个新取代基在新出现的双键上的反排列。前提条件是炔烃旁边的残基应不含任何β-氢原子。该方法为传统的Pd催化无法达到的三取代和四取代双键系统铺平了道路。
• [EN] OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE<br/>[FR] OLIGOMÉRISATION DE L'ÉTHYLÈNE EN MÉLANGES DE 1-HEXÈNE ET 1-OCTÈNE
  申请人：SASOL TECH PTY LTD

  公开号：WO2014181247A1

  公开（公告）日：2014-11-13

  A process for the otigomerisation of ethylene to predominantly 1-hexene or 1-octene or mixtures of 1-hexene and 1-octene includes contacting ethylene with a catalyst under ethylene oligomerisation conditions. The catalyst comprises a source of chromium, a diphosphine ligating compound, and optionally an activator. The diphosphine ligating compound includes at least one optionally substituted fused cyclic structure including at least two rings, the optionally substituted fused cyclic structure including a 5- to 7- membered aromatic first ring bonded to a phosphorus atom, the aromatic first ring being fused to a 4- to 8-membered heterocyclic second ring, the heterocyclic second ring including a heteroatom which is separated by two ring atoms along the shortest connecting path from the phosphorous atom that is bonded to the first aromatic ring.

  将乙烯催化寡聚化为主要的1-己烯或1-辛烯或1-己烯和1-辛烯混合物的过程包括在乙烯寡聚化条件下将乙烯与催化剂接触。催化剂包括铬源、二膦配体化合物，以及可选的活化剂。二膦配体化合物包括至少一个可选取代的融合环结构，其中包括至少两个环，可选取代的融合环结构包括一个与磷原子键合的5-至7-成员芳香第一环，该芳香第一环与一个4-至8-成员杂环第二环融合，该杂环第二环包括一个杂原子，该杂原子与磷原子沿着与第一芳香环键合的最短连接路径相隔两个环原子。
• Azepine derivatives having effects on serotonin related systems
  申请人：Eli Lilly and Company

  公开号：US06465453B1

  公开（公告）日：2002-10-15

  The present invention provides compounds of formula I and a method of inhibiting the reuptake of serotonin, antagonizing the 5-HT1A receptor and antagonizing the 5-HT2A receptor which comprises administering to a subject in need of such treatment an effective amount of a compound of formula I.

  本发明提供了一种化合物I的公式和一种抑制5-羟色胺再摄取、拮抗5-HT1A受体和拮抗5-HT2A受体的方法，包括向需要这种治疗的受试者施用化合物I的有效量。