1-溴-3-(乙氧基甲基)苯 | 95068-01-2

• 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: 1-溴-3-(乙氧基甲基)苯
• 英文名称: 1-bromo-3-(ethoxymethyl)benzene
• CAS: 95068-01-2
• 化学式: C₉H₁₁BrO
• 分子量: 215.09
• InChiKey: UTPJZYYIEFTZLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-溴-3-(乙氧基甲基)苯 在 2,4,6-三甲基吡啶 、 sodium hydroxide 、 copper(l) iodide 、 草酰氯 、 水 、 对甲苯磺酸 、 magnesium 、 溶剂黄146 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 2-(S)-tetrahydropyranyloxy-3-(3-ethoxymethylphenyl)propan-1-al
  参考文献：
  名称：

  Design and synthesis of a selective EP4-receptor agonist. Part 3: 16-phenyl-5-thiaPGE1 and 9-β-halo derivatives with improved stability

  摘要：

  To identify a new selective EP4-agonist with improved chemical stability, further chemical modification of those reported previously was continued. We focused our attention on chemical modification of the alpha chain of 3,7-dithiaPGE(1), and selected 5-thiaPGE(1), as a new chemical lead, Introduction of an optimized omega to chain to the 5-thiaPG skeleton afforded in-methoxymethyl derivative 33a, which showed the most potent EP4-receptor agonist activity and good subtype-selectivity both in vitro and in vivo. 9beta-HaloPGF derivatives were also synthesized and biologically evaluated in an attempt to block self-degradation of the beta-hydroxyketone moiety. Among these series, 39a and 39b showed potent agonist activity and good subtype-selectivity. Structure-activity relationships (SARs) are also discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00031-7
• 作为产物：
  描述：

  2,6-二甲基吡啶 、 3-溴苯甲醇 以 乙醚 、 乙醇 、 二氯甲烷 为溶剂， 以88%的产率得到1-溴-3-(乙氧基甲基)苯
  参考文献：
  名称：

  C.sub.4 -amide substituted compounds and their use as therapeutic agents

  摘要：

  这项发明提供了具有C.sub.4-酰胺取代基的某些5和/或8取代苯并吡喃、吡喃吡啶或四氢喹啉化合物，以及制备它们的方法。所描述的化合物在治疗和/或预防某些疾病方面具有用处。

  公开号：

  US05843989A1

文献信息

• New Method for the Synthesis of Benzyl Alkyl Ethers Mediated by FeSO₄
  作者：Girdhar Joshi、Subbarayappa Adimurthy

  DOI：10.1080/00397911003642674

  日期：2011.2.7

  Abstract The synthesis of benzyl alkyl ethers from benzyl bromides and alcohols using FeSO4 as a recoverable and reusable mediator has been described without use of base and cosolvent under mild conditions.

  摘要 已经描述了在温和条件下不使用碱和助溶剂，使用 FeSO4 作为可回收和可重复使用的介质，从苄基溴和醇合成苄基烷基醚。
• Reductive etherification of aldehydes photocatalyzed by dicarbonyl pentamethylcyclopentadienyl iron complexes
  作者：Gilles Argouarch、Guillaume Grelaud、Thierry Roisnel、Mark G. Humphrey、Frédéric Paul

  DOI：10.1016/j.tetlet.2012.07.038

  日期：2012.9

  by the reaction with dialkylmethylsilanes in the presence of new iron(II) piano-stool catalysts of general formula Cp∗Fe(CO)2Ar (Cp∗ = η5-C5Me5; Ar = Ph, 4-C6H4OCH3, 4-C6H4CH3, Fc). This transformation is promoted by UV light and affords a simple route for the preparation of unsymmetrical alkyl ethers.

  醛的还原性醚化可以通过对反应与dialkylmethylsilanes在新的铁的存在下进行（II）通式Cp的钢琴凳催化剂*的Fe（CO）2的Ar（CP *  =η 5 -C 5我5 ;氩＝ Ph，4-C 6 H 4 OCH 3，4 -C 6 H 4 CH 3，Fc）。紫外光促进了这种转变，并提供了制备不对称烷基醚的简单途径。
• METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200165209A1

  公开（公告）日：2020-05-28

  The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound useful as a pharmaceutical and agrochemical intermediate; and further a 3-arylpropionamide compound and a 3-arylpropionic acid ester compound useful as production intermediates of the phenylethylamine compound. The 3-arylpropionamide compound or the 3-arylpropionic acid ester compound can be efficiently and industrially produced in a single step by reacting a compound represented by formula (1) (wherein X represents a chlorine atom or a bromine atom; and Y represents an alkyl group optionally substituted with fluorine atom(s), a hydrogen atom, a fluorine atom, a cyano group, an alkylcarbonyl group, a dialkylamino group, or the like) with acrylamide or an acrylic acid ester in the presence of a metal catalyst and a reducing agent.

  本发明提供了一种工业生产方法：制备具有杀虫效果的嘧啶化合物；2-[4-(三氟甲基)苯基]乙胺，它是嘧啶化合物的生产中间体；一种作为药用和农药中间体有用的苯乙胺化合物；以及进一步的作为苯乙胺化合物的生产中间体有用的3-芳基丙酰胺化合物和3-芳基丙酸酯化合物。通过在金属催化剂和还原剂存在下，将由式(1)表示的化合物（其中X代表氯原子或溴原子；Y代表可选地取代氟原子、氢原子、氟原子、氰基、烷基羰基、二烷基氨基基团等的烷基基团）与丙烯酰胺或丙烯酸酯反应，可以高效地并且工业化地在一步中生产3-芳基丙酰胺化合物或3-芳基丙酸酯化合物。
• BIARYL DERIVATIVE AS GPR120 AGONIST
  申请人：LG Chem, Ltd.

  公开号：EP3239143A2

  公开（公告）日：2017-11-01

  The present invention relates to a biaryl derivative expressed by the chemical formula 1, a method for producing the biaryl derivative, a pharmaceutical composition comprising same, and use of same, the biaryl derivative expressed by the chemical formula 1, as a GPR120 agonist, promoting GLP-1 generation in the gastro-intestinal tract, reducing insulin resistance in the liver, muscles and the like from anti-inflammatory activity in the macrophage, pancreatic cells and the like, and allowing effective use in prevention or treatment of inflammation or metabolic diseases such as diabetes, complications from diabetes, obesity, non-alcoholic fatty liver disease, fatty liver disease, and osteoporosis.

  本发明涉及一种由化学式1表示的生物芳基衍生物、生产该生物芳基衍生物的方法、包含该生物芳基衍生物的药物组合物以及该生物芳基衍生物的用途，由化学式1表示的生物芳基衍生物作为GPR120激动剂，促进胃肠道中GLP-1的生成、从巨噬细胞、胰腺细胞等的抗炎活性中降低肝脏、肌肉等的胰岛素抵抗，并可有效用于预防或治疗炎症或代谢性疾病，如糖尿病、糖尿病并发症、肥胖症、非酒精性脂肪肝、脂肪肝和骨质疏松症。
• Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US11028056B2

  公开（公告）日：2021-06-08

  The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound useful as a pharmaceutical and agrochemical intermediate; and further a 3-arylpropionamide compound and a 3-arylpropionic acid ester compound useful as production intermediates of the phenylethylamine compound. The 3-arylpropionamide compound or the 3-arylpropionic acid ester compound can be efficiently and industrially produced in a single step by reacting a compound represented by formula (1) (wherein X represents a chlorine atom or a bromine atom; and Y represents an alkyl group optionally substituted with fluorine atom(s), a hydrogen atom, a fluorine atom, a cyano group, an alkylcarbonyl group, a dialkylamino group, or the like) with acrylamide or an acrylic acid ester in the presence of a metal catalyst and a reducing agent.

  本发明提供了一种工业化生产方法：一种具有害虫防治效果的嘧啶化合物；2-[4-(三氟甲基)苯基]乙胺，它是嘧啶化合物的生产中间体；一种苯基乙胺化合物，可用作医药和农用化学品中间体；以及一种3-芳基丙酰胺化合物和一种3-芳基丙酸酯化合物，可用作苯基乙胺化合物的生产中间体。3-arylpropionamide 化合物或 3-arylpropionic acid ester 化合物可通过式 (1) 所代表的化合物进行反应，在一个步骤中高效地工业化生产。 (其中 X 代表氯原子或溴原子；Y 代表任选被氟原子、氢原子、氟原子、氰基、烷基羰基、二烷基氨基等取代的烷基）与丙烯酰胺或丙烯酸酯在金属催化剂和还原剂存在下反应。