丁二酸,2-(2-羰基丙基)- | 1188-20-1

• 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
• 中文名称: 丁二酸,2-(2-羰基丙基)-
• 英文名称: 3-carboxy-5-oxohexanoic acid
• 英文别名: 2-(2-oxopropyl)succinic acid；acetonyl-succinic acid；Acetonyl-bernsteinsaeure；2-Acetonyl-bernsteinsaeure；diester of α-acetyl-α'-methyl succinic acid；α-Acetonyl-bernsteinsaeure；Acetonylsuccinimid；2-(2-Oxopropyl)butanedioic acid
• CAS: 1188-20-1
• 化学式: C₇H₁₀O₅
• 分子量: 174.153
• InChiKey: DOQXVNJNIRVIJV-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 沸点：
  330.3±22.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  丁二酸,2-(2-羰基丙基)- 生成 Acetylbernsteinsaeure-anhydrid
  参考文献：
  名称：

  Emery, Journal fur praktische Chemie (Leipzig 1954), 1896, vol. <2> 53, p. 310

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 丁二酸,2-(2-羰基丙基)-
  参考文献：
  名称：

  Emery, Journal fur praktische Chemie (Leipzig 1954), 1896, vol. <2> 53, p. 310

  摘要：

  DOI：

文献信息

• HPMA POLYMER PLATINUM CHELATES
  申请人：Sood Paul

  公开号：US20110286958A1

  公开（公告）日：2011-11-24

  Polymeric platinum amidomalonate complexes, where the platinum is in +2 or +4 oxidation state, and where the complexes optionally contain tumor seeking groups, are useful in the treatment of cancer.

  聚合物铂胺基丙二酸盐络合物，其中铂处于+2或+4氧化态，且这些络合物可选择性地含有寻找肿瘤的基团，在癌症治疗中是有用的。
• New cyclohexane derivatives having plant-growth regulating activities, and uses of these derivatives
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0123001A1

  公开（公告）日：1984-10-31

  As new compound is provided a cyclohexane derivative of the formula wherein R represents a hydrogen atom or an alkyl group, an alkylthioalkyl group or an unsubstituted or substituted phenyl group; and R' represents an alkyl group, an unsubstituted or substituted benzyl group, a phenethyl group, a phenoxymethyl group, a 2-thienylmethyl group, an alkoxymethyl group or an alkylthiomethyl group, or a salt of said cyclohexane compound. This cyclohexane compound exhibits useful plant-growth regulating effects on crop-plants and also non-crop plants such as lawn and may be prepared by cyclization of an acetonylsuccinic acid dialkyl ester, followed by reaction with an organic acid chloride and by intermolecular rearrangement.

  作为新化合物，提供了一种环己烷衍生物，其式为 其中 R 代表氢原子或烷基、烷硫基或未取代或取代的苯基；R'代表烷基、未取代或取代的苄基、苯乙基、苯氧甲基、2-噻吩甲基、烷氧甲基或烷硫甲基，或所述环己烷化合物的盐。 这种环己烷化合物对农作物和非农作物（如草坪）的生长具有有效的调节作用，可以通过乙酰丁二酸二烷基酯环化，然后与有机酸氯化物反应，再通过分子间重排来制备。
• Process for the preparation of 3,5-dioxo cyclohexane carboxylic acid derivatives
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0306996A2

  公开（公告）日：1989-03-15

  A process for the preparation of a cyclohexane compound of the formula I. wherein R represents a hydrogen atom or an alkyl group, an alkylthioalkyl group or an unsubstituted or substituted phenyl group; and R¹ represents an alkyl group, an unsubstituted or substituted benzyl group, a phenethyl group, a phenoxymethyl group, a 2-thienylmethyl group, an alkoxymethyl group or an alkylthiomethyl group; or a salt of said cyclohexane compound (I), which comprises the consecutive steps of cyclizing an acetonylsuccinic acid di-alkyl ester by reaction with a basic reagent ; reacting the resulting compound with an acyl chloride R¹-CO-Cl ; subjecting the resulting compound to a rearrangement reaction in the presence of a catalyst so as to obtain a compound of formula I ; and optionally converting said compound I into a salt thereof. Said process can be carried out in a single reaction vessel without isolation and purification of the intermediate compounds.

  一种制备式 I 的环己烷化合物的工艺。 其中 R 代表氢原子或烷基、烷硫基或未取代或取代的苯基；R¹ 代表烷基、未取代或取代的苄基、苯乙基、苯氧甲基、2-噻吩甲基、烷氧甲基或烷硫甲基；或所述环己烷化合物 (I) 的盐，包括以下连续步骤：通过与碱性试剂反应使乙酰丁二酸二烷基酯环化；使所得化合物与酰基氯 R¹-CO-Cl 反应；使所得化合物在催化剂存在下进行重排反应，以获得式 I 化合物；以及将所述化合物 I 转化为其盐。上述过程可在单个反应容器中进行，无需分离和纯化中间化合物。
• Thiazole derivatives
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0928790A1

  公开（公告）日：1999-07-14

  Compounds of formula I as well as pharmaceutically usable salts and esters thereof, wherein R1, R2 and R3 have the significance given in claim 1, inhibit the binding of adhesive proteins to the surface of different types of cell and accordingly influence cell-cell and cell-matrix interactions. They can be used in the form of pharmaceutical preparations for the control or prevention of neoplasms, tumour metastasing, tumour growth, osteoporosis, Paget's disease, diabetic retinopathy, macular degeneration, restenosis following vascular intervention, psoriasis, arthritis, fibrosis, kidney failure as well as infection caused by viruses, bacteria or fungi.

  式 I 的化合物及其药用盐和酯 及其药用盐和酯，其中 R1、R2 和 R3 具有权利要求 1 所述的意义，可抑制粘附蛋白与不同类型细胞表面的结合，并相应地影响细胞-细胞和细胞-基质之间的相互作用。它们可以药物制剂的形式用于控制或预防肿瘤、肿瘤转移、肿瘤生长、骨质疏松症、Paget 病、糖尿病视网膜病变、黄斑变性、血管介入后的再狭窄、牛皮癣、关节炎、纤维化、肾衰竭以及由病毒、细菌或真菌引起的感染。
• Dual iron- and organophotocatalyzed hydroformylation, hydroacylation and hydrocarboxylation of Michael-acceptors utilizing 1,3,5-trioxanes as C1-Synthone
  作者：Viktor Klöpfer、Anurag Chinchole、Oliver Reiser

  DOI：10.1016/j.tchem.2024.100073

  日期：2024.6

  as co-photocatalyst to accelerate the formation of the desired products by facilitating the reoxidation of iron(II) to iron(III). The methodology is robust, allowing the generation of aldehydes, ketones, and carboxylic acids either by altering the trioxane and deprotection strategy or by subsequent photocatalyzed conversion of the initially obtained aldehydes.

  开发了一种基于氯化铁 (III) 和 9,10-二氰基蒽 (DCA) 光催化循环的方案，用于利用现成的 1,3,5-三恶烷对迈克尔受体进行掩蔽加氢甲酰化、加氢酰化和加氢羧化。由[FeCl]的LMCT引发产生氯自由基，促进三恶烷中的氢原子转移（HAT），9,10-二氰基蒽用作助光催化剂，通过促进铁的再氧化来加速所需产物的形成（ II) 到铁(III)。该方法很稳健，可以通过改变三恶烷和脱保护策略或通过随后对最初获得的醛进行光催化转化来生成醛、酮和羧酸。