1-(氰基甲基)环戊烷-1-腈 | 1539-03-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-(氰基甲基)环戊烷-1-腈
• 英文名称: 1-cyanocyclopentaneacetonitrile
• 英文别名: α,α-Tetramethylen-bernsteinsaeuredinitril；<1-Cyano-cyclopentyl>-acetonitril；1-(Cyanomethyl)cyclopentane-1-carbonitrile
• CAS: 1539-03-3
• 化学式: C₈H₁₀N₂
• 分子量: 134.181
• InChiKey: GKUHYWPDYKMCSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(氰基甲基)环戊烷-1-腈 在 盐酸 作用下， 以 异丙醚 为溶剂， 生成 3-Cyan-3,3-tetramethylen-propionsaeureamid
  参考文献：
  名称：

  Schaefer,H., Justus Liebigs Annalen der Chemie, 1965, vol. 688, p. 113 - 121

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酸,2-氰基-2-环戊亚基-,乙酯 、 氰化钾 生成 1-(氰基甲基)环戊烷-1-腈
  参考文献：
  名称：

  EDAFIOGHO, IVAN O.;SCOTT, K. R.;MOORE, JACQUELINE A.;FARRAR, VIDA A.;NICH+, J. MED. CHEM., 34,(1991) N, C. 387-392

  摘要：

  DOI：

文献信息

• Nitrilase-Catalyzed Selective Hydrolysis of Dinitriles and Green Access to the Cyanocarboxylic Acids of Pharmaceutical Importance
  作者：Dunming Zhu、Chandrani Mukherjee、Edward R. Biehl、Ling Hua

  DOI：10.1002/adsc.200700067

  日期：2007.7.2

  further explore its synthetic applications, the nitrilase bll6402 from Bradyrhizobium japonicum strain USDA110 has been examined toward the hydrolysis of various dinitriles. It has been found that nitrilase bll6402 effectively hydrolyzed α,ω-dinitriles to ω-cyanocarboxylic acids, and the selectivity was independent of the substrate chain length. This feature is distinct from all the known nitrilases of

  为了进一步探索其合成应用，已研究了日本根瘤菌（Bradyrhizobium japonicum）菌株USDA110的腈水解酶bll6402对各种二腈的水解作用。已经发现腈水解酶bll6402有效地将α，ω-二腈水解为ω-氰基羧酸，并且选择性与底物链长无关。该特征不同于各种来源的所有已知的腈水解酶。因此，将腈水解酶bll6402用于​​合成1-氰基环烷乙酸，这是合成加巴喷丁及其类似物的有用前体。
• Shevchenko,V.I. et al., Journal of general chemistry of the USSR, 1969, vol. 39, p. 2152 - 2156
  作者：Shevchenko,V.I. et al.

  DOI：——

  日期：——
• Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use
  申请人：Zhu Dunming

  公开号：US20070178575A1

  公开（公告）日：2007-08-02

  The present disclosure relates to methods of rational genome mining. A method may include narrowing the number of clones that would otherwise need to be screened and/or identifying a gene with a desired catalytic activity. The disclosure also relates to a nitrile hydrolase from Bradyrhizobium japonicum USDA110 first identified by rational genome mining. In addition, the disclosure relates to nitrilase bll6402 and catalytically active variants capable of converting an α-hydroxy nitriles, a β-hydroxy nitrile and/or an α,ω-dinitrile to a carboxylic acid.
• IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE
  申请人：Zhu Dunming

  公开号：US20100137636A1

  公开（公告）日：2010-06-03

  The present disclosure relates to methods of rational genome mining. A method may include narrowing the number of clones that would otherwise need to be screened and/or identifying a gene with a desired catalytic activity. The disclosure also relates to a nitrile hydrolase from Bradyrhizobium japonicum USDA110 first identified by rational genome mining. In addition, the disclosure relates to nitrilase bll6402 and catalytically active variants capable of converting an α-hydroxy nitriles, a β-hydroxy nitrile and/or an α,ω-dinitrile to a carboxylic acid.
• [EN] IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE<br/>[FR] IDENTIFICATION D'UNE NITRILASE À PARTIR DE B.JAPONICUM PAR LA RECHERCHE GÉNOMIQUE RATIONNELLE ET SES PROCÉDÉS D'UTILISATION
  申请人：UNIV SOUTHERN METHODIST

  公开号：WO2007094885A2

  公开（公告）日：2007-08-23

  [EN] The present disclosure relates to methods of rational genome mining. A method may include narrowing the number of clones that would otherwise need to be screened and/or identifying a gene with a desired catalytic activity. The disclosure also relates to a nitrile hydrolase from Bradyrhizobium japonicum USDA110 first identified by rational genome mining. In addition, the disclosure relates to nitrilase bll6402 and catalytically active variants capable of converting an a-hydroxy nitriles, a ß-hydroxy nitrile and/or an a, ?-dinitrile to a carboxylic acid.
  [FR] La présente invention concerne des procédés de recherche génomique rationnelle. Un procédé peut comprendre la réduction du nombre de clones qui devraient autrement être criblés et/ou l'identification d'un gène avec une activité catalytique souhaitée. L'invention concerne également une nitrile hydrolase à partir de Bradyrhizobium japonicum USDA110 préalablement identifié par la recherche génomique rationnelle. L'invention concerne en outre la nitrilase bll6402 et des variants d'activité catalytique capables de convertir un nitrile alpha-hydroxy, un nitrile bêta-hydroxy et/ou un alpha, oméga-dinitrile en un acide carboxylique.