4-Oxo-2-phenylpent-2-enedioic acid | 108345-16-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Oxo-2-phenylpent-2-enedioic acid
• CAS: 108345-16-0
• 化学式: C₁₁H₈O₅
• 分子量: 220.182
• InChiKey: JOTLWOPWMDKAQP-UHFFFAOYSA-N

物化性质

• 沸点：
  384.1±42.0 °C(Predicted)
• 密度：
  1.437±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴苯 、 一氧化碳 在 calcium hydroxide 、 dicobalt octacarbonyl 、 碘甲烷 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 20.0h， 以8%的产率得到苯甲酸
  参考文献：
  名称：

  Cobalt catalyzed normal pressure carbonylation of aryl halides. Notable solvent effects on the ratio of mono- to double-carbonylation

  摘要：

  DOI：

  10.1021/jo00388a060

文献信息

• Methods and microorganisms for producing flavors and fragrance chemicals
  申请人：ARDRA INC.

  公开号：US11060079B2

  公开（公告）日：2021-07-13

  The present disclosure relates to biosynthetic pathways for producing flavor and fragrance chemicals, such as green notes including trans-2-unsaturated aldehydes and lactones. The present disclosure provides methods for producing trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones. The present disclosure provides pathways for the preparation of trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones by reacting aldehydes in the presence of aldolases.

  本公开涉及生产香精香料化学品的生物合成途径，例如包括反式-2-不饱和醛和内酯在内的绿色香料。本公开提供了生产反式-2-不饱和醛、δ-内酯和γ-内酯的方法。本公开提供了在醛酶存在下通过醛反应制备反式-2-不饱和醛、δ-内酯和γ-内酯的途径。
• POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF MONATIN AND ITS PRECURSORS
  申请人：CARGILL, INCORPORATED

  公开号：EP1877567A2

  公开（公告）日：2008-01-16
• METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS
  申请人：ARDRA BIO INC.

  公开号：US20190177713A1

  公开（公告）日：2019-06-13

  The present disclosure relates to biosynthetic pathways for producing flavor and fragrance chemicals, such as green notes including trans-2-unsaturated aldehydes and lactones. The present disclosure provides methods for producing trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones. The present disclosure provides pathways for the preparation of trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones by reacting aldehydes in the presence of aldolases.
• MASSIVELY PARALLEL ON-CHIP CONSTRUCTION OF SYNTHETIC MICROBIAL COMMUNITIES
  申请人：MASSACHUSETTS INSTITUTE OF TECHNOLOGY

  公开号：US20220228190A1

  公开（公告）日：2022-07-21

  The present disclosure relates to compositions and methods for combinatorial assessment of nanoscale droplets, as specifically exemplified by massively parallel assessment of spatially-directed (while agnostic as to precise droplet content) combinations of droplets harboring distinct and independently identifiable microbial types and/or chemical compounds or mixtures. More particularly, the disclosure relates to a platform and methodologies for identifying advantageous (including synergistic, additive, etc.) microbial interactions and/or chemical compound or mixture interactions with microbes in a manner that allows for binary, trinary, etc. combinatorial assessments to be performed across a range of many discrete input types of microbes (e.g., 6-16 or more discrete input microbial types), to an extent capable of approaching comprehensive sampling and measurement of microbial community combinations from a selected panel of microbial inputs, optionally also in the presence of chemical compounds or mixtures (e.g., test compounds or mixtures for antimicrobial effect).
• [EN] POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF MONATIN AND ITS PRECURSORS<br/>[FR] POLYPEPTIDES ET VOIES BIOSYNTHETIQUES POUR LA PRODUCTION DE MONATINE ET DE SES PRECURSEURS
  申请人：CARGILL INC

  公开号：WO2006116487A2

  公开（公告）日：2006-11-02

  [EN] Methods and compositions that can be used to make monatin from glucose, tryptophan, indole-3-lactic acid, indole-3-pyruvate, and 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid, are provided. Methods are also disclosed for producing the indole-3-pyruvate and 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid intermediates. Compositions provided include nucleic acid molecules, polypeptides, chemical structures, and cells. Methods include in vitro and in vivo processes, and the in vitro methods include chemical reactions.
  [FR] L'invention concerne des procédés et des compositions destinés à être utilisés pour la production de monatine à partir de glucose, de tryptophane, d'acide indole-3-lactique, d'indole-3-pyruvate, et d'acide 2-hydroxy 2-(indol-3-ylméthyl)-4-céto glutarique. L'invention concerne également des procédés de production d'intermédiaires d'indole-3-pyruvate et d'acide 2-hydroxy 2-(indol-3-ylméthyl)-4-céto glutarique. Les compositions de l'invention comprennent des molécules d'acides nucléiques, des polypeptides, des structures chimiques, et des cellules. Les procédés de l'invention comprennent des procédés in vitro et in vivo, les procédés in vitro impliquant des réactions chimiques.