tert-butyl 3-(diethoxyphosphinyl)propanoate | 934398-81-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: tert-butyl 3-(diethoxyphosphinyl)propanoate
• 英文别名: diethylphosphonoacetic acid tert-butyl ester；(EtO)2POCH2CO2tBu；tert-Butyl 3-(diethoxyphosphoryl)propanoate；tert-butyl 3-diethoxyphosphorylpropanoate
• CAS: 934398-81-9
• 化学式: C₁₁H₂₃O₅P
• 分子量: 266.274
• InChiKey: JWNFVHLESFNAFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(diethoxyphosphinyl)propanoate 、 2-溴-5-羟基苯甲醛 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到tert-butyl 3-(2-bromo-5-hydroxyphenyl)acrylate
  参考文献：
  名称：

  Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor

  摘要：

  Based on structural information for a peptide (P8-2KAQ) that binds to granulocyte-colony stimulating factor receptor (G-CSFR), small ligands with a biaryl scaffold were designed and their binding affinities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.010
• 作为产物：
  描述：

  丙烯酸叔丁酯 、 亚磷酸二乙酯 在 1,3-dicyclohexylimidazolium-2-carboxylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以99%的产率得到tert-butyl 3-(diethoxyphosphinyl)propanoate
  参考文献：
  名称：

  N-Heterocyclic Carbene Catalyzed Carba-, Sulfa-, and Phospha-Michael Additions with NHC·CO₂ Adducts as Precatalysts

  摘要：

  N-heterocyclic carbene catalyzed Michael additions have been revisited with 1,3-dialkyl- or 1,3-diarylimidazol(in)ium-2-carboxylates, that is, NHC center dot CO2 adducts, as the source of the free NHC catalysts in solution. Using these precatalysts, a number of efficient carba-, sulfa-, and phospha-Michael additions were achieved very conveniently, without the need for an external strong base to generate the NHC by deprotonation of an azolium salt. To further expand the scope of the procedure, some NHC-catalyzed sulfa-Michael/aldol organocascades were also investigated.

  DOI：

  10.1021/jo500108a

文献信息

• SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP0871439B1

  公开（公告）日：2004-03-31
• US6057369A
  申请人：——

  公开号：US6057369A

  公开（公告）日：2000-05-02