3-acetyl-3-butenoic acid | 89533-75-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-acetyl-3-butenoic acid
• 英文别名: 3-methylene-4-oxopentanoic acid；β-Methylen-laevulinsaeure；3-Acetyl-buten-(3)-saeure-(1)；3-Methylen-laevulinsaeure；3-methylidene-4-oxo-1-n-pentanoic acid；3-acetyl-but-3-enoic acid；3-Acetyl-but-3-ensaeure；3-Methylidene-4-oxopentanoic acid
• CAS: 89533-75-5
• 化学式: C₆H₈O₃
• mdl: MFCD19228440
• 分子量: 128.128
• InChiKey: GFDXCHADPIXXRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-acetyl-3-butenoic acid 、 对苯二甲醚 在 PPA 作用下， 反应 0.17h， 以72%的产率得到2-acetyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-4-one
  参考文献：
  名称：

  Facile Total Syntheses of Idarubicinone‐7‐β‐D‐glucuronide: Convenient Preparations of AB‐Ring Synthon Using Some Carboxylic Acid Derivatives

  摘要：

  Regiospecific syntheses of idarubicinone coupled with D-glucuronic acid are described. Cyclization of dimethoxybenzene with carboxylic acid derivatives in polyphosphoric acid (PPA) in one step afforded the naphthalenones 7, which were transformed to the (+/-)-idarubicinone 3b by general methods. Esterification of (+/-)-3b with (S)-(+)-O-acetylmandelic acid with subsequent separation and deprotection gave (+)-3b and (-)-3b. Reaction of separated two stereoisomers with acetobromo-alpha-D-glucuronic acid methyl ester respective followed by hydrolysis using lithium hydroxide and amberite cation exchange resin furnished two kinds of idarubicinone-7-beta-D-glucuronide (20 and 21) that are coupled at C-7 position of idarubicinone.

  DOI：

  10.1081/scc-120030758
• 作为产物：
  描述：

  乙酰琥珀酸二乙酯 在 盐酸 、 sodium hydride 、 甲苯 作用下， 生成 3-acetyl-3-butenoic acid
  参考文献：
  名称：

  Birkofer; Storch, Chemische Berichte, 1954, vol. 87, p. 571,576

  摘要：

  DOI：

文献信息

• One-pot conversion of biomass-derived xylose and furfural into levulinate esters via acid catalysis
  作者：Xun Hu、Shengjuan Jiang、Liping Wu、Shuai Wang、Chun-Zhu Li

  DOI：10.1039/c7cc01078h

  日期：——

  Direct conversion of biomass-derived xylose and furfural into levulinic acid, a platform molecule, via acid-catalysis has been accomplished for the first time in dimethoxymethane/methanol. Dimethoxymethane acted as the electrophile to...

  首次在二甲氧基甲烷/甲醇中实现了通过酸催化将生物质衍生的木糖和糠醛直接转化为乙酰丙酸（平台分子）。二甲氧基甲烷用作亲电试剂，可...
• Studies on Antibiotics and Related Substances. X. Syntheses of Some Unsaturated Ketocarboxylic Acids, Anti-tumor Substances
  作者：Mitsuhiro Kinoshita、Sumio Umezawa

  DOI：10.1246/bcsj.33.1075

  日期：1960.8

  of XII and VIII afforded 4-keto-5-hexene-1-carboxylic acid (XI) and 4-keto-3-methylene-pentane-1-carboxylie acid (XIII), respectively. 3) The structures of IV, VII, XI and XIII have been proven. 4) Some derivatives of above-mentioned carboxylic acids have been described. 5) It has been found that IV, VII, XI and XII...

  1) 2-(二甲氨基甲基)-3-酮丁烷-1-羧酸盐酸盐(VI)以及5-二甲氨基-3-酮戊烷-1-羧酸盐酸盐(I)已从乙酰丙酸、多聚甲醛和二甲胺盐酸盐中获得通过曼尼希反应。I 和 VI 的热降解分别提供了 δ-亚甲基乙酰丙酸 (IV) 和 β-亚甲基乙酰丙酸 (VII)。2) 3-(二甲氨基甲基)-4-酮戊烷-1-羧酸盐酸盐(XII)以及6-二甲氨基-4-酮己烷-1-羧酸盐酸盐(VIII)已从5-酮己酸、多聚甲醛和通过曼尼希反应制备二甲胺盐酸盐。XII 和 VIII 的热降解分别提供了 4-keto-5-hexene-1-羧酸 (XI) 和 4-keto-3-methylene-pentane-1-carboxyle 酸 (XIII)。3) IV、VII、XI 和 XIII 的结构已被证明。4) 已经描述了上述羧酸的一些衍生物。5) 已发现 IV、VII、XI 和 XII...
• [EN] CARDANOL GLYCIDYL ETHER DERIVATIVES<br/>[FR] DÉRIVÉS D'ÉTHERS DE GLYCIDYLE DE CARDANOL
  申请人：CT DE TECHNOLOGIE MINERALE ET DE PLASTURGIE INC

  公开号：WO2015168771A1

  公开（公告）日：2015-11-12

  Methacrylated cardanol glycidyl ethers, diglycidyl ethers, intermediates and derivatives thereof are described herein. Compositions and polymers made with such compounds as well as methods of preparation thereof are also described. For example, compounds of Formulas: wherein n, R1, R2, R3, R4, R5, and R6 can each represent various different entities are described in the present disclosure.

  本文描述了甲基丙烯酸酯基腰果环氧丙基醚、二环氧丙基醚、中间体和衍生物。还描述了使用这些化合物制备的组合物和聚合物以及其制备方法。例如，在本文中描述了公式中n、R1、R2、R3、R4、R5和R6可以分别代表不同的实体的化合物。
• NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP0999204A1

  公开（公告）日：2000-05-10

  A novel cystacycline derivative provided according to the present invention has a novel neuron differentiation promoting activity and is thus useful as a medicament for the treatment of central and peripheral nervous system disorders and the like.

  根据本发明提供的一种新型胱氨酸衍生物具有促进神经元分化的新型活性，因此可用作治疗中枢和周围神经系统疾病等的药物。
• Product for lightening hair, containing special oxo-carboxylic acids
  申请人：Henkel AG & Co. KGaA

  公开号：US11202742B2

  公开（公告）日：2021-12-21

  A multi-component packaging unit (kit of parts) for lightening keratinous fibres, in particular human hair, which includes, formulated separately from one another, a first container containing a cosmetic agent (A), and a second container containing a cosmetic agent (B), wherein the agent (A) in the first container contains (a) at least one peroxy compound, for example hydrogen peroxide, and the agent (B) in the second container contains (b) at least one acid with formula (I): Also, a method for lightening hair, in which the multi-component packaging unit as contemplated herein is used.

  一种用于淡化角质纤维，特别是人类头发的多组分包装单元（部件套件），其中包括相互独立的配方、 一个装有化妆品剂（A）的第一容器，和 装有化妆品剂（B）的第二个容器，其中 第一容器中的药剂（A）含有 (a) 至少一种过氧化合物，例如过氧化氢，和 第二容器中的药剂（B）含有 (b) 至少一种式 (I) 的酸： 此外，还有一种淡化头发的方法，在这种方法中使用了本文所考虑的多组分包装单元。