4-formyl-5-methyl-1H-pyrrole-2-carbonitrile | 728899-33-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-formyl-5-methyl-1H-pyrrole-2-carbonitrile
• CAS: 728899-33-0
• 化学式: C₇H₆N₂O
• mdl: MFCD03965934
• 分子量: 134.137
• InChiKey: LBNFNJROPUKDPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-formyl-5-methyl-1H-pyrrole-2-carbonitrile 、 在 对甲苯磺酸 作用下， 以 氯仿 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  Unusual Oxidation in the Course of Synthesis of N-Confused Nickel Tetrahydrobilins

  摘要：

  N-confused Tetrahydrobilins rac-16 and rac-17 were prepared to investigate their cyclization directed to the formation of N-confused chlorins. For achieving the desired cyclization the 5'-position of rac-16 respectively rac-17 was activated by an electron withdrawing cyano function and their 2'-positions were blocked by a methyl group. In addition, the insertion of Ni(II) was accomplished for exercising a template effect during the cyclization process, but the formed nickel complexes rac-18 and rac-19 underwent oxidation to yield oxo-tetrahydrobilins rac-20 and rac-21.

  DOI：

  10.3987/com-10-s(e)104
• 作为产物：
  描述：

  5-甲基-1H-吡咯-2-甲醛 在 aluminum (III) chloride 、 盐酸羟胺 、 sodium acetate 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 硝基甲烷 、 二氯甲烷 、 氯仿 为溶剂， 反应 16.83h， 生成 4-formyl-5-methyl-1H-pyrrole-2-carbonitrile
  参考文献：
  名称：

  Unusual Oxidation in the Course of Synthesis of N-Confused Nickel Tetrahydrobilins

  摘要：

  N-confused Tetrahydrobilins rac-16 and rac-17 were prepared to investigate their cyclization directed to the formation of N-confused chlorins. For achieving the desired cyclization the 5'-position of rac-16 respectively rac-17 was activated by an electron withdrawing cyano function and their 2'-positions were blocked by a methyl group. In addition, the insertion of Ni(II) was accomplished for exercising a template effect during the cyclization process, but the formed nickel complexes rac-18 and rac-19 underwent oxidation to yield oxo-tetrahydrobilins rac-20 and rac-21.

  DOI：

  10.3987/com-10-s(e)104

文献信息

• [DE] THROMBININHIBITOREN<br/>[EN] THROMBIN INHIBITORS<br/>[FR] INHIBITEURS DE LA THROMBINE
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1998006741A1

  公开（公告）日：1998-02-19

  (DE) Es werden Verbindungen der Formel (I), worin A, B, E und D die in der Beschreibung angegebene Bedeutung besitzen, sowie deren Herstellung beschrieben. Die Substanzen eignen sich zur Bekämpfung von Krankheiten.(EN) Compounds having formula (I) wherein A, B, E and D have the m eanings indicated in the description, are described, in addition to the production thereof. The substances can be used to combat illnesses.(FR) L'invention concerne des composés de la formule (I) dans laquelle A, B, E et D ont la notation donnée dans la description, ainsi que leur préparation. Ces substances conviennent pour lutter contre des maladies.

  (DE) Verbindungen der Formel (I) werden beschrieben, in der A, B, E und D die in der Beschreibung angegebenen Bedeutungen haben, sowie deren Herstellung. Die betroffenen Stoffe sind zur Bekämpfung von Erkrankungen geeignet. (EN) Compounds with formula (I) wherein A, B, E and D have the meanings indicated in the description are described, in addition to the production thereof. The substances can be used to combat illnesses. (FR) L'invention concerne des composés de la formule (I) dans laquelle A, B, E et D ont la notation donnée dans la description, ainsi que leur préparation. Ces substances conviennent pour lutter contre des maladies.
• THROMBININHIBITOREN
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0956294A1

  公开（公告）日：1999-11-17
• Unusual Oxidation in the Course of Synthesis of N-Confused Nickel Tetrahydrobilins
  作者：Franz-Peter Montforts、Jan-Erik Damke、Torben König、Gerold Haake、Lechosław Latos-Grażyński

  DOI：10.3987/com-10-s(e)104

  日期：——

  N-confused Tetrahydrobilins rac-16 and rac-17 were prepared to investigate their cyclization directed to the formation of N-confused chlorins. For achieving the desired cyclization the 5'-position of rac-16 respectively rac-17 was activated by an electron withdrawing cyano function and their 2'-positions were blocked by a methyl group. In addition, the insertion of Ni(II) was accomplished for exercising a template effect during the cyclization process, but the formed nickel complexes rac-18 and rac-19 underwent oxidation to yield oxo-tetrahydrobilins rac-20 and rac-21.