dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid | 87518-54-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid
• 英文别名: 3-Phosphonooxycyclohexene-1-carboxylic acid
• CAS: 87518-54-5
• 化学式: C₇H₁₁O₆P
• 分子量: 222.134
• InChiKey: XGUYJKAVWJYMQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid 反应 16.0h， 生成
  参考文献：
  名称：

  An electrochemical study to model the chorismate synthase reaction

  摘要：

  The electrochemical reduction of 3-phosphate-cyclohex-1-ene-1-carboxylic acid 13 has been studied as a model for the chorismate synthase reaction. An electrochemical reaction occurs only when 13 is fully protonated. However the reaction results in loss of the carboxyl group rather than the phosphate. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00217-x
• 作为产物：
  描述：

  1-环己烯基-1-甲酸甲酯 在 N-甲基咪唑 、 chromium(VI) oxide 、 盐酸 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 乙醚 、 溶剂黄146 为溶剂， 反应 90.5h， 生成 dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid
  参考文献：
  名称：

  An electrochemical study to model the chorismate synthase reaction

  摘要：

  The electrochemical reduction of 3-phosphate-cyclohex-1-ene-1-carboxylic acid 13 has been studied as a model for the chorismate synthase reaction. An electrochemical reaction occurs only when 13 is fully protonated. However the reaction results in loss of the carboxyl group rather than the phosphate. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00217-x

文献信息

• [EN] MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS<br/>[FR] MICROORGANISMES ET PROCÉDÉS DE PRODUCTION D'ACIDE TÉRÉPHTALIQUE ET SES SELS
  申请人：GENOMATICA INC

  公开号：WO2013109865A2

  公开（公告）日：2013-07-25

  The invention provides non-naturally occurring microbial organisms having a (2- hydroxy-3-methyl-4-oxobutoxy) phosphonate (2H3M40P) pathway, p-toluate pathway, and/or terephthalate pathway. The invention additionally provides methods of using such organisms to produce 2H3M40P, p-toluate or terephthalate. Also provided herein are processes for isolating bio-based aromatic carboxylic acid, in particular, p-toluic acid or terephthalic acid, from a culture medium, wherein the processes involve contacting the culture medium with sufficient carbon dioxide (C02) to lower the pH of the culture medium to produce a precipitate comprised of the aromatic carboxylic acid.
• An electrochemical study to model the chorismate synthase reaction
  作者：Maria-Elena Theoclitou、Peter J. Duggan、Chris Abell

  DOI：10.1016/0960-894x(96)00217-x

  日期：1996.6

  The electrochemical reduction of 3-phosphate-cyclohex-1-ene-1-carboxylic acid 13 has been studied as a model for the chorismate synthase reaction. An electrochemical reaction occurs only when 13 is fully protonated. However the reaction results in loss of the carboxyl group rather than the phosphate. Copyright (C) 1996 Elsevier Science Ltd