乙氧基乙醛 | 22056-82-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙氧基乙醛
• 英文名称: ethoxyacetaldehyde
• 英文别名: 2-ethoxyacetaldehyde
• CAS: 22056-82-2
• 化学式: C₄H₈O₂
• 分子量: 88.1063
• InChiKey: IAHZBRPNDIVNNR-UHFFFAOYSA-N

物化性质

• 沸点：
  103.07°C (rough estimate)
• 密度：
  0.9420
• 大气OH速率常数：
  1.66e-11 cm3/molecule*sec

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  6
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2912499000

反应信息

• 作为反应物：
  描述：

  乙氧基乙醛 在 barium dihydroxide 、 silver nitrate 作用下， 生成 乙氧基乙酸
  参考文献：
  名称：

  Farmer et al., Journal of the Chemical Society, 1927, p. 2950

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙氧基-1,2-丙二醇 在 过碘酸 作用下， 以 水 为溶剂， 生成 乙氧基乙醛
  参考文献：
  名称：

  OH Radical Initiated Photooxidation of  2-Ethoxyethanol under Laboratory Conditions Related to the Troposphere:  Product Studies and Proposed Mechanism

  摘要：

  The products formed by the hydroxyl radical-initiated oxidation of 2-ethoxyethanol (CH3CH2OCH2CH2OH) have been investigated by irradiating synthetic air mixtures containing the substrate, methyl nitrite, and nitric oxide at ppm levels in a Teflon bag reactor at room temperature. The decay of reactants and the formation of products were monitored by gas chromatography and mass spectrometry. The major products ethyl formate [HC(O)OCH2CH3], ethylene glycol monoformate [HC(O)OCH2CH2OH], ethylene glycol monoacetate [CH3C(O)OCH2CH2OH], and ethoxyacetaldehyde [CH3CH2OCH2C(O)H] give a quantitative mass balance with the decay of the substrate molecule. The yields of these products were 34 +/- 10%, 36 +/- 7%, 7.8 +/- 2.4%, and 24 +/- 13%, respectively, in terms of percent of 2-ethoxyethanol removed by the OH radical. The product distribution is explained by a mechanism involving initial OH attack at the three CH2 groups in 2-ethoxyethanol followed by the subsequent reactions of the resulting alkyl and alkoxy radicals. The decomposition reactions of the alkoxy radicals from 2-ethoxyethanol, which can take place either by C-C or C-O bond breaking, involve preferential C-C cleavage rather than C-O cleavage. Rate coefficients at room temperature for the reactions of OH radicals with ethoxyacetaldehyde and 2-methyl-1,3-dioxolane (CH3CHOCH2CH2O, a minor product) have been determined to be 16.6 x 10(-12) and 9.4 x 10(-12) cm(3) molecule(-1) s(-1), respectively.

  DOI：

  10.1021/es960348n

文献信息

• [EN] ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS D'ARYL-PYRIDINE EN TANT QU'INHIBITEURS D'ALDOSTÉRONE SYNTHASE
  申请人：NOVARTIS AG

  公开号：WO2011061168A1

  公开（公告）日：2011-05-26

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5 and n are defined herein. The invention also relates to a method for manufacturing compounds of the invention, and their therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5和n在此处定义。该发明还涉及一种制造该发明化合物的方法，以及它们的治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• [EN] ACETYLINIC PIPERAZINE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES ACETYLENIQUES DE PIPERAZINE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RECEPTEUR METABOTROPE DU GLUTAMATE
  申请人：ASTRAZENECA AB

  公开号：WO2005080363A1

  公开（公告）日：2005-09-01

  The present invention relates to new acetylinic piperazine compounds of formula I, their pharmaceutically acceptable salts, and hydrates: Formula (I), wherein R1, R2, R3, R4, M, and n are as defined in the description. The invention also relates to processes for the preparation of the compounds and to new intermediates employed in the preparation, pharmaceutical compositions containing the compounds, and to the use of the compounds in therapy.

  本发明涉及公式I的新乙炔基哌嗪化合物，其药学上可接受的盐和水合物：公式（I），其中R1、R2、R3、R4、M和n如描述中所定义。该发明还涉及制备该化合物的方法，以及用于制备中所使用的新中间体，含有该化合物的药物组合物，以及该化合物在治疗中的用途。
• First total synthesis of Debilisone C
  作者：Bishwajit Saikia、Thongam Joymati Devi、Nabin C. Barua

  DOI：10.1039/c2ob26329g

  日期：——

  Total synthesis of Debilisone C, a lactone containing conjugated endiyne has been achieved. The adopted strategy involves the stereoselective construction of the five membered lactone ring and the C20 endiyne chain followed by regioselective coupling of both the parts. The lactone was obtained from the oxidative cleavage of the hydroxy olefin which was derived from the benzyl protected S-epichlorohydrine

  已经实现了含有胆甾醇的共轭内炔地昔松C的全合成。所采用的策略涉及五元内酯环和C20内炔链的立体选择性构建，然后两个部分的区域选择性偶联。内酯是由羟基烯烃的氧化裂解而得的，羟基烯烃是由苄基保护的S-表氯醇通过区域选择性环氧化物开环而得的。烯丙基三甲基硅烷在-78°C的路易斯酸存在下。Takai烯烃化，Pd 0 / Ag 1催化的交叉偶联反应和三甲基甲硅烷基的选择性取代被成功地用于建立C20聚炔链。两部分的最终偶联已通过在THF–DMPU（1：1）中使用LDA进行烷基偶联来完成。
• Synthesis and properties of alkylthioethanals
  作者：Natalia A. Keiko、Ludmila G. Stepanova、Ekaterina A. Verochkina、Yurii A. Chuvashev

  DOI：10.3998/ark.5550190.0012.a11

  日期：——

  allowing alkylthioethanals to be synthesized in 80-93% yields, has been developed. It comprises the hydrolysis of bis-1,1-alkoxy-2-alkylthioethanes using two-phase system water organic solvent. The method is applicable for both common aldehydes bearing lower radicals (R = Pr, Bu) and hitherto unknown highly boiling aldehydes (R = C7H15, C8H17, PhCH2). It has been found that alkylthioethanals can spontaneously

  已经开发出一种方法，可以以 80-93% 的产率合成烷基硫乙醛。它包括使用两相系统水有机溶剂水解双-1,1-烷氧基-2-烷基硫代乙烷。该方法适用于带有低级自由基的常见醛 (R = Pr, Bu) 和迄今为止未知的高沸点醛 (R = C7H15, C8H17, PhCH2)。已经发现烷基硫代乙醛可以自发地三聚成 2,4,6-烷基硫代三恶烷。在碱性介质（1N NaOH、KF/Si(OEt)4/EtOH）中，烷硫醇以高达 60% 的产率（ 1 H NMR）提供羟醛自缩合产物。在丁硫基-和烷氧基乙醛与呋喃-或噻吩-2-甲醛的竞争性相互作用（交叉羟醛缩合）中，含硫碳负离子的反应性比烷氧基类似物高六倍以上。
• Photochemical reactions of alkoxy-containing-alkyl phenylglyoxylates: remote hydrogen abstraction
  作者：Shengkui Hu、D. C. Neckers

  DOI：10.1039/a700948h

  日期：——

  A series of alkoxy-containing-alkyl phenylglyoxylates have been synthesized and their photochemical reactions studied. The intention was to probe structural requirements for remote hydrogen abstraction. Products resulting from 1,10- and 1,11-hydrogen abstraction were isolated from the photochemical reactions of 4′-methoxybutyl phenylglyoxylate 3d and 5′-benzyloxypentyl phenylglyoxylate 3h respectively. Products resulting from Norrish Type II and intermolecular hydrogen abstraction reactions were also isolated. Triplet lifetimes of representative compounds were measured by laser flash photolysis.

  我们合成了一系列含烷氧基的烷基苯基乙醛酸酯，并研究了它们的光化学反应。分别从 4′-甲氧基丁基苯基乙醛酸酯 3d 和 5′-苄氧基戊基苯基乙醛酸酯 3h 的光化学反应中分离出了 1,10- 和 1,11- 氢抽取产物。此外，还分离出了诺里什 II 型反应和分子间氢抽离反应产生的产物。用激光闪烁光解法测量了代表性化合物的三重寿命。