Methyl 2-hydroxy-2-[3-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]acetate | 1011299-54-9

• 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: Methyl 2-hydroxy-2-[3-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]acetate
• CAS: 1011299-54-9
• 化学式: C₁₂H₁₄O₆
• 分子量: 254.24
• InChiKey: AFQIMFZVVLUYNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-hydroxy-2-[3-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]acetate 在 lithium hydroxide 作用下， 以100%的产率得到2-{3-[carboxy(hydroxy)methyl]phenyl}-2-hydroxyacetic acid
  参考文献：
  名称：

  Conformationally constrained diketopimelic acid analogues as inhibitors of dihydrodipicolinate synthase

  摘要：

  Dihydrodipicolinate synthase (DHDPS) is a key enzyme in lysine biosynthesis and a potential antibiotic target. The enzyme catalyses the condensation of (S)-aspartate semi-aldehyde (ASA) and pyruvate to form dihydrodipicolinate. Constrained diketopimelic acid derivatives have been designed as mimics of the acyclic enzyme-bound condensation product of ASA and pyruvate. Several of the compounds are shown to be active, slow-binding inhibitors with improved inhibition of DHDPS. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.108
• 作为产物：
  描述：

  Methyl 2-[3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate 在 sodium tetrahydroborate 作用下， 生成 Methyl 2-hydroxy-2-[3-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]acetate
  参考文献：
  名称：

  Conformationally constrained diketopimelic acid analogues as inhibitors of dihydrodipicolinate synthase

  摘要：

  Dihydrodipicolinate synthase (DHDPS) is a key enzyme in lysine biosynthesis and a potential antibiotic target. The enzyme catalyses the condensation of (S)-aspartate semi-aldehyde (ASA) and pyruvate to form dihydrodipicolinate. Constrained diketopimelic acid derivatives have been designed as mimics of the acyclic enzyme-bound condensation product of ASA and pyruvate. Several of the compounds are shown to be active, slow-binding inhibitors with improved inhibition of DHDPS. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.108

文献信息

• PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA HYDROXYESTER COMPOUND
  申请人：Fujiwara Naoki

  公开号：US20100256409A1

  公开（公告）日：2010-10-07

  A process according to the present invention for producing a cyanohydrin compound is a process for producing a cyanohydrin compound by performing a reaction between a carbonyl compound such as an aldehyde compound and hydrogen cyanide in the presence of a catalyst, a content of the carbonyl compound in a reaction system being not more than 50 mol % with respect to the cyanohydrin compound. Thus provided is a process for producing a cyanohydrin compound in good yield from an aldehyde compound and hydrogen cyanide.

  根据本发明的一种生产氰醇化合物的方法是通过在催化剂存在下，在碳酰化合物（如醛类化合物）和氰化氢之间进行反应来生产氰醇化合物的方法，其中反应体系中碳酰化合物的含量不超过氰醇化合物的50摩尔％。因此，提供了一种从醛类化合物和氰化氢中高产率生产氰醇化合物的方法。
• US8263796B2
  申请人：——

  公开号：US8263796B2

  公开（公告）日：2012-09-11
• Conformationally constrained diketopimelic acid analogues as inhibitors of dihydrodipicolinate synthase
  作者：Berin A. Boughton、Renwick C.J. Dobson、Juliet A. Gerrard、Craig A. Hutton

  DOI：10.1016/j.bmcl.2007.11.108

  日期：2008.1

  Dihydrodipicolinate synthase (DHDPS) is a key enzyme in lysine biosynthesis and a potential antibiotic target. The enzyme catalyses the condensation of (S)-aspartate semi-aldehyde (ASA) and pyruvate to form dihydrodipicolinate. Constrained diketopimelic acid derivatives have been designed as mimics of the acyclic enzyme-bound condensation product of ASA and pyruvate. Several of the compounds are shown to be active, slow-binding inhibitors with improved inhibition of DHDPS. (c) 2007 Elsevier Ltd. All rights reserved.