3-ethoxy-4-methyl-3-cyclobutene-1,2-dione | 75966-09-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-ethoxy-4-methyl-3-cyclobutene-1,2-dione
• 英文别名: 3-ethoxy-4-methylcyclobut-3-ene-1,2-dione
• CAS: 75966-09-5
• 化学式: C₇H₈O₃
• 分子量: 140.139
• InChiKey: RBXCIONWCYPOQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-ethoxy-4-methyl-3-cyclobutene-1,2-dione 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 xylene 为溶剂， 反应 3.0h， 生成 tert-butyl 5-ethoxy-6-methyl-4,7-dioxo-1,2(1H)-diazepine-3-carboxylate
  参考文献：
  名称：

  重氮官能化的4-羟基环丁烯酮的扩环：催化开环和环化反应成2（5H）-呋喃酮/环戊二酮和热4pi-8pi电动开环反应-二氮杂二酮封闭。

  摘要：

  在C-4处带有重氮基团的4-羟基环丁烯酮经酸催化和Rh催化（也光催化）分解，通过α-羰基化中间体和a生成2（5H）-呋喃酮和/或环戊烯-1,3-二酮。类胡萝卜素（卡宾）中间体。其中一些化合物的热重排导致二氮杂二酮的形成而没有通过串联的4pi电动开环和8pi电动闭环过程挤出氮气。

  DOI：

  10.1021/jo980523d
• 作为产物：
  描述：

  3,4,4-triethoxy-2-methyl-2-cyclobutenone 在 盐酸 、 4 A molecular sieve 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 6.0h， 生成 3-ethoxy-4-methyl-3-cyclobutene-1,2-dione
  参考文献：
  名称：

  合成von 3-Hydroxy-4-methyl-3-cyclobuten-1,2-dion（Mmonmoniliformin）† ‡

  摘要：

  3-羟基-4-甲基-3-环丁烯-1,2-二酮（甲基moniliformin）的合成

  DOI：

  10.1002/hlca.19800630504

文献信息

• CHELATE NANOEMULSION FOR MRI
  申请人：Port Marc

  公开号：US20130309176A1

  公开（公告）日：2013-11-21

  The present invention relates to an oil-in-water nanoemulsion composition for MRI, comprising: an aqueous phase, representing 70% to 90% by weight of the composition, advantageously 75% to 85% and more advantageously from 78% to 82% a lipid phase comprising an oil, representing 9.5% to 29.5% by weight of the composition, advantageously 14% to 25% and more advantageously 17% to 21%, a surfactant at the interface between the aqueous and lipid phases, the surfactant comprising at least one amphiphilic paramagnetic metal chelate and optionally an amphiphilic lipid; the total content of surfactant by weight relative to the oil being between 4% and 10% and advantageously between 5% and 8%; the total content of surfactant by weight relative to the composition being between 0.35% and 2.95% and advantageously between 0.5% and 2%; the oil comprising at least 70%, advantageously at least 80%, advantageously at least 95% by weight and especially at least 97% of saturated C6-C18, advantageously C6-C14 and more advantageously C6-C10 fatty acids.

  本发明涉及一种用于磁共振成像的油包水纳米乳液组合物，包括： 水相，表示组合物重量的70%至90%，优选75%至85%，更优选78%至82%； 脂相包括一种油，表示组合物重量的9.5%至29.5%，优选14%至25%，更优选17%至21%； 表面活性剂位于水相和脂相之间的界面上，表面活性剂包括至少一种两性磁性金属螯合物和可选的两性脂质； 相对于油的重量，表面活性剂的总含量在4%至10%之间，优选在5%至8%之间； 相对于组合物的重量，表面活性剂的总含量在0.35%至2.95%之间，优选在0.5%至2%之间； 油包括至少70%，优选至少80%，优选至少95%的饱和C6-C18，优选C6-C14，更优选C6-C10脂肪酸。
• [EN] INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL<br/>[FR] INHIBITEURS DU CANAL POTASSIQUE MÉDULLAIRE EXTERNE RÉNAL
  申请人：MERCK SHARP & DOHME

  公开号：WO2015100147A1

  公开（公告）日：2015-07-02

  Novel spirocyclic compounds of formula I: and pharmaceutically acceptable salts thereof are disclosed as inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure and chronic kidney disease and conditions associated with excessive salt and water retention. Pharmaceutical compositions and methods of treatment are also included.

  公开了公式I的新型螺环化合物及其药学上可接受的盐，作为ROMK（Kir1.1）通道的抑制剂。这些化合物可用作利尿剂和/或钠利尿剂，并用于治疗和预防包括高血压、心力衰竭和慢性肾脏疾病在内的心血管疾病以及与过多盐分和水分潴留有关的疾病。还包括药物组合物和治疗方法。
• Convergent Synthesis of Azabicycloalkenones using Squaric Acid as Platform
  作者：Yoshihiko Yamamoto、Shoji Kuwabara、Hiroki Hayashi、Hisao Nishiyama

  DOI：10.1002/adsc.200606097

  日期：2006.11

  The synthesis of azabicycloalkenones bearing a vinylogous amide moiety was achieved by means of the rhodium-catalyzed decarbonylative cycloaddition of cyclobutenediones with a pendant alkene. The starting cyclobutenediones were efficiently prepared from appropriate squaric acid monoesters and N-benzylalkenylamines under microwave heating conditions.

  带有乙烯基酰胺部分的氮杂双环烯酮的合成是通过铑催化的环丁二烯与侧链烯烃的脱羰环加成反应而实现的。在微波加热条件下，由合适的方酸单酯和N-苄基烯基胺有效地制备了起始的环丁烯二酮。
• NANOEMULSIONS AND USE THEREOF AS CONTRAST AGENTS
  申请人：GUERBET

  公开号：US20140234223A1

  公开（公告）日：2014-08-21

  The invention relates to an oil-in-water nanoemulsion for MRI, including: an aqueous phase, a fluorinated phase including at least one fluorinated oil, a surfactant at the interface between the aqueous and fluorinated phases, the surfactant comprising: at least one amphiphilic targeting ligand, at least one amphiphilic lipid, and at least one diblock or triblock fluorophilic compound, as well as to the use thereof as a contrast agent.

  这项发明涉及一种用于磁共振成像的油包水纳米乳液，包括： 水相， 含有至少一种氟化油的氟化相， 位于水相和氟化相之间的表面活性剂，所述表面活性剂包括： 至少一种两性靶向配体， 至少一种两性脂质，以及 至少一种二嵌段或三嵌段亲氟化合物， 以及将其用作对比剂的用途。
• Tandem electrocyclic ring opening/radical cyclization: application to the total synthesis of cribrostatin 6
  作者：Daniel Knueppel、Stephen F. Martin

  DOI：10.1016/j.tet.2011.08.064

  日期：2011.12

  A concise total synthesis of cribrostatin 6 (1), an antimicrobial and antineoplastic agent, was accomplished using a tandem electrocyclic ring opening/radical cyclization sequence. Specifically, intermediate 4 underwent a 4π-electrocyclic ring opening, radical cyclization, and homolytic aromatic substitution sequence followed by an oxidation to afford the natural product 1 in one pot. Owing to the

  使用串联电环开环/自由基环化序列完成了一种抗菌剂和抗肿瘤剂克布他汀 6 ( 1 )的简明全合成。具体而言，中间体4经历了 4π-电环开环、自由基环化和均裂芳烃取代序列，然后氧化在一锅中得到天然产物1。由于关键步骤中复杂性的快速积累，1可以从市售的起始材料中仅通过四个线性步骤合成。还报道了该化学在简明合成cribrostatin 6 ( 1 )类似物中的应用。