2-oxo-imidazolidine-1-carboxylic acid ethyl ester | 825-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-oxo-imidazolidine-1-carboxylic acid ethyl ester
• 英文别名: ethyl 2-oxo-imidazolidine-1-carboxylate；ethyl 2-imidazolidinone carboxylate；1-carboethoxy-imidazolidin-2-one；1-Aethoxycarbonyl-imidazolidin-on-(2)；1-Aethoxycarbonyl-imidazolidin-2-on；1-Ethoxycarbonyl-imidazolidinon-(2)；Ethyl 2-oxoimidazolidine-1-carboxylate
• CAS: 825-43-4
• 化学式: C₆H₁₀N₂O₃
• 分子量: 158.157
• InChiKey: KQYZBMSXJXAYGB-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-oxo-imidazolidine-1-carboxylic acid ethyl ester 、 1-甲基-2-甲基磺酰基-5-硝基咪唑 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以16%的产率得到1'-Methyl-5'-nitro-2-oxo-4,5-dihydro-1'H-[1,2']biimidazolyl-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Nagarajan, K.; Arya, V. P.; George, T., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 10, p. 928 - 940

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 、 N-氯甲酰基-2-咪唑烷酮 以 苯 为溶剂， 以28%的产率得到2-oxo-imidazolidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Nagarajan, K.; Arya, V. P.; George, T., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 10, p. 928 - 940

  摘要：

  DOI：

文献信息

• Process for the manufacture of 2-arylamino-2-imidazoline derivatives and
  申请人：Boehringer Ingelheim GmbH

  公开号：US03931216A1

  公开（公告）日：1976-01-06

  A process for the preparation of the known and valuable 2-aryl-amino-2-imidazoline derivatives which comprises condensing an appropriately substituted aniline with a 1-acyl-imidazolidin-2-one to produce an intermediate compound which on neutralisation in an aqueous medium is converted into a N-acyl derivative of the 2-aryl-amino-2-imidazoline, and splitting the intermediate compound or the said N-acyl derivative to give the corresponding free arylamino-2-imidazoline derivative or a salt thereof.

  一种制备已知和有价值的2-芳基氨基-2-咪唑啉衍生物的方法，包括将适当取代的苯胺与1-酰基咪唑啉-2-酮缩合，产生一个中间化合物，在水性介质中中和后转化为2-芳基氨基-2-咪唑啉的N-酰基衍生物，然后分解中间化合物或所述的N-酰基衍生物，得到相应的游离芳基氨基-2-咪唑啉衍生物或其盐。
• Method of obtaining optically active half esters
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0092194A1

  公开（公告）日：1983-10-26

  A method of separating optically active half esters comprising optically resolving a mixture of a (4S,5R)-1,3-dibenzyl-5-alkoxy or alkenyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid and a (4R,5S)-1,3-dibenzyl-5-alkoxy or alkenyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid, each being represented by the formula (I): wherein R1 is an alkyl group or an alkenyl group, each having 1 to 5 carbon atoms; Bzl is a benzyl group; * indicates an asymmetric carbon atom; and the 4- and 5-positions are a cis-configuration, using an optically active d- or 1-amine represented by the formula (II): wherein R2 and R3 are each a hydrogen atom, a halogen atom or methyl group; and indicates an asymmetric carbon atom; and the eforementioned half esters are disclosed. A method for the preparation of an optically active (4S,5R)-cis-1,3-dibenzyl-5-methoxy- or ethoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (la') or (4R,5S)-cis-1,3-dibenzyl-5-methoxy- or ethoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (Ib'), comprising preferentially crystallizing (Ia') or (Ib') from a supersaturated solution where (la' ) and (Ib') are copresent in the presence of crystals of the same type of optically active half ester as that to be crystallized, is also disclosed.

  一种分离光学活性半酯的方法，包括光学解析(4S,5R)-1,3-二苄基-5-烷氧基或烯酰氧基羰基-2-氧代咪唑烷-4-羧酸和(4R,5S)-1,3-二苄基-5-烷氧基或烯酰氧基羰基-2-氧代咪唑烷-4-羧酸的混合物，各自由式(I)表示： 其中 R1 是烷基或烯基，各具有 1 至 5 个碳原子；Bzl 是苄基；* 表示不对称碳原子；4 位和 5 位为顺式构型，使用由式（II）表示的具有光学活性的 d- 或 1-胺： 其中 R2 和 R3 各为氢原子、卤素原子或甲基；且表示不对称碳原子；本发明公开了上述半酯。一种制备光学活性(4S,5R)-顺式-1,3-二苄基-5-甲氧基-或乙氧基羰基-2-氧代咪唑烷-4-羧酸(la')或(4R,5S)-顺式-1,3-二苄基-5-甲氧基-或乙氧基羰基-2-氧代咪唑烷-4-羧酸(Ib')的方法、本发明还公开了(Ia')或(Ib')从过饱和溶液中优先结晶的方法，其中(la')和(Ib')在与待结晶的光学活性半酯类型相同的晶体存在下共存。
• Catalytic processes for the preparation of N,N,N-trisubstituted nitrogen-containing compounds
  申请人：UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC.

  公开号：EP0476782A1

  公开（公告）日：1992-03-25

  A process for preparing N,N,N-trisubstituted nitrogen-containing compounds which comprises contacting a carboxylated N,N,N-trisubstituted nitrogen-containing compound with a mixed metal oxide catalyst under conditions effective to produce the N,N,N-trisubstituted nitrogen-containing compound.

  一种制备 N,N,N-三取代含氮化合物的工艺，包括在有效生成 N,N,N-三取代含氮化合物的条件下，将羧化的 N,N,N-三取代含氮化合物与混合金属氧化物催化剂接触。
• Chemical Reactivity of Models Related to a Proposed CO2~Biotin Enzyme Complex II
  作者：Howard J. Schaeffer、Parmatma S. Bhargava

  DOI：10.1002/jps.2600530205

  日期：1964.2
• NAGARAJAN, K.;ARYA, V. P.;GEORGE, T.;SUDARSANAM, V.;SHAH, R. K.;GOUD, A. +, INDIAN J. CHEM., 1982, 21, N 10, 928-940
  作者：NAGARAJAN, K.、ARYA, V. P.、GEORGE, T.、SUDARSANAM, V.、SHAH, R. K.、GOUD, A. +

  DOI：——

  日期：——