1-tert-Butyl-2-(methoxycarbonyl)azetidine | 18085-35-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-tert-Butyl-2-(methoxycarbonyl)azetidine
• 英文别名: 1-tert-Butyl-2-carbomethoxyazetidine；1-tert-butyl-azetidine-2-carboxylic acid methyl ester；methyl N-t-butylazetidine-2-carboxylate；N-tert-butyl-2-carbomethoxyazetidine；1-tert-Butyl-2-azetidincarbonsaeure-methylester；1-tert-Butyl-2-carbomethoxy-azetidin；Methyl 1-tert-butyl-2-azetidinecarboxylate；methyl 1-tert-butylazetidine-2-carboxylate
• CAS: 18085-35-3
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: ZNMJVYVCCXSTAT-UHFFFAOYSA-N

物化性质

• 沸点：
  194.2±33.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-tert-Butyl-2-(methoxycarbonyl)azetidine 在 一水合肼 作用下， 生成 γ-tert.-Butylamino-butancarbonsaeurehydrazid
  参考文献：
  名称：

  Rodebaugh,R.M.; Cromwell,N.H., Journal of Heterocyclic Chemistry, 1971, vol. 8, p. 19 - 24

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二溴丁酸甲酯 、 叔丁胺 以 乙腈 为溶剂， 以2.3 g (70%)的产率得到1-tert-Butyl-2-(methoxycarbonyl)azetidine
  参考文献：
  名称：

  Synthesis of beta-lactams from azetidine carboxylic acid esters

  摘要：

  氮杂环戊酸酯被转化为烯醇硅基醚，作为烯胺酮酯，易于通过染料敏化的光氧化反应裂解乙烯基不饱和双键，例如形成β-内酰胺。β-内酰胺及其取代产物是合成生物活性内酰胺的有用中间体。

  公开号：

  US04190579A1

文献信息

• Novel synthesis of pyrrolidinones by cobalt carbonyl catalyzed carbonylation of azetidines. A new ring-expansion-carbonylation reaction of 2-vinylazetidines to tetrahydroazepinones
  作者：Dominique Roberto、Howard Alper

  DOI：10.1021/ja00201a040

  日期：1989.9

  Pyrrolidinones can be synthesized in high yields and regioselectivity by the cobalt carbonyl catalyzed carbonylation of azetidines. For 2-substituted azetidines (alkyl, aryl, CH 2 OH, CH 2 OR, CH 2 OCOR, and COOR), carbonyl insertion occurs in the more or less substituted ring carbon-nitrogen bond depending on the kind of substituent group and on the reaction temperature. In the case of 2-vinylazetidines

  吡咯烷酮可以通过羰基钴催化的氮杂环丁烷羰基化以高产率和区域选择性合成。对于 2-取代的氮杂环丁烷（烷基、芳基、CH 2 OH、CH 2 OR、CH 2 OCOR 和 COOR），羰基插入发生在或多或少取代的环碳 - 氮键中，这取决于取代基的种类和反应温度。在 2-乙烯基氮杂环丁烷的情况下，扩环和羰基化得到七元环四氢氮杂环酮。在这些反应中观察到良好的官能团耐受性
• Enzyme preparation and method of using the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20030124683A1

  公开（公告）日：2003-07-03

  There is disclosed are an enzyme preparation characterized by a polymer carrier having fine pores with average radius of 200-500 Å and the enzyme is capable of converting an N-substituted cyclic imino ester into an (S)—N-substituted cyclic imino acid, thereby an (S)—N-substituted cyclic imino acid is preferentially produced, and has an amino acid sequence as set forth in SEQ ID NO: 1 or the like.

  本发明公开了一种酶制剂，其特征在于具有平均半径为200-500Å的细孔的聚合物载体，并且该酶能够将N-取代的环状亚氨酸酯转化为（S）-N-取代的环状亚氨酸，从而优先产生（S）-N-取代的环状亚氨酸，并具有SEQ ID NO:1或类似的氨基酸序列。
• Esterase genes and uses of the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1057894A2

  公开（公告）日：2000-12-06

  The present invention provides a novel gene encoding a protein having an excellent catalyst ability for producing (S)-N-substituted cyclic imino acid represented by the general formula (2) (= the (S)-cyclic imino acid (2)): and to provide a novel method for producing the (S)-cyclic imino acid (2) by an asymmetric hydrolization of the N-substituted cyclic imino acid ester represented by the general formula (1): in a manner of gene engineering technology utilizing the novel gene provided.

  本发明提供了一种新型基因，该基因编码的蛋白质在生产通式(2)代表的(S)-N-取代环 亚胺酸(=(S)-环亚胺酸(2))方面具有优异的催化能力： 并提供一种通过通式(1)代表的 N-取代环亚胺酸酯的不对称水解生产 (S)-环亚胺酸(2)的新方法： 以基因工程技术的方式利用所提供的新型基因。
• Esterace genes and uses of the same
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20020173013A1

  公开（公告）日：2002-11-21

  The present invention provides a novel gene encoding a protein having an excellent catalyst ability for producing (S)-N-substituted cyclic imino acid represented by the general formula (2) (=the (S)-cyclic imino acid (2)): 1 and to provide a novel method for producing the (S)-cyclic imino acid (2) by an asymmetric hydrolization of the N-substituted cyclic imino acid ester represented by the general formula (1): 2 in a manner of gene engineering technology utilizing the novel gene provided.

  本发明提供了一种新型基因，该基因编码的蛋白质在生产通式(2)代表的(S)-N-取代环亚胺酸(&等于;(S)-环亚胺酸(2))方面具有优异的催化能力： 1 并提供一种通过通式(1)代表的 N-取代环亚胺酸酯的不对称水解生产(S)-环亚胺酸(2)的新方法： 2 以基因工程技术的方式利用所提供的新型基因。
• Regiospecific and Stereospecific Palladium-Catalyzed Cycloaddition of Azetidines and Carbodiimides
  作者：Jin-Ook Baeg、Corinne Bensimon、Howard Alper

  DOI：10.1021/jo00106a043

  日期：1995.1

  Azetidines react with carbodiimides in the presence of bis(benzonitrile)palladium dichloride to form tetrahydropyrimidin-2-imines in 64-97% yields. The reaction is both regio- and stereospecific, the cycloaddition occurring with retention of configuration of the carbon centers bearing the substituent groups.