cyanomethyl pentanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: cyanomethyl pentanoate
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: BOYDUHSHBKXMSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cyanomethyl pentanoate 、 1-<sulfonyl>-3-cyclohexyl-2-iminoimidazolidine 以 乙酸乙酯 为溶剂， 反应 12.0h， 以72%的产率得到1-cyclohexyl-3-[4-(2-pentanoylamino-ethyl)-benzenesulfonyl]-imidazolidin-2-ylideneamine
  参考文献：
  名称：

  Sulfonyliminoimidazolidines. A new class of oral hypoglycemic agents. 1. 1-[[p-[2-(Acylamino)ethyl]phenyl]sulfonyl]-2-iminoimidazolidines

  摘要：

  A series of 1-[[p-[2-(acylamino)ethyl]phenyl]sulfonyl]-2-iminoimidazolidines has been synthesized. Compounds from this new class of oral hypoglycemic agents lower blood glucose in normal and in streptozotocin-diabetic rats. Potent analogues were obtained by modification of the acyl residue. 1-[[p-[2-(Crotonylamino)ethyl]phenyl]-sulfonyl]-3-cyclohexyl-2-iminoimidazolidine (44) turned out to be the most potent compound in the normal rat (20 times tolbutamide), and 1-[[p-[2-(5-methylisoxazole-3-carboxamido)ethyl]phenyl]sulfonyl]-3-cyclohexyl-2-imino-imidazolidine (30) displayed the highest potency in the diabetic rat (similar to phenformin).

  DOI：

  10.1021/jm00361a006
• 作为产物：
  描述：

  氯乙腈 、 正戊酸 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以70%的产率得到cyanomethyl pentanoate
  参考文献：
  名称：

  [EN] LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING
  [FR] DÉVELOPPEMENT DES SUBSTRATS CHIMIQUES DE REPROGRAMMATION DE CODE GÉNÉTIQUE POUR QU'ILS COMPRENNENT DU CARBONE À LONGUE CHAÎNE ET DES ACIDES AMINÉS CYCLIQUES

  摘要：

  公开号：

  WO2021221760A3

文献信息

• Process for the carbonylation of pentenenitrile
  申请人：——

  公开号：US20040230071A1

  公开（公告）日：2004-11-18

  Processes to prepare 5-cyanovaleric acid or its ester is provided, by carbonylation of a pentenenitrile, wherein pentenenitrile is reacted with carbon monoxide and water and/or an alcohol in the presence of a catalyst system. The catalyst system contains: (a) a metal of Group VIII or a compound thereof and (b) a bidentate phosphine, arsine and/or stibine ligand, wherein the bidentate ligand has the general formula (I): R 1 R 2 -M 1 -R-M 2 -R 3 R 4 (I) wherein M 1 and M 2 are independently P, As or Sb, R is a divalent organic bridging group, which bridging group comprises a chain of 3 to 5 atoms directly connecting the 2 phosphorus atoms, which chain consists of carbon atoms and optionally a nitrogen, oxygen or sulphur atom or a silano or dialkylsilicon group, which alkyl groups independently comprise from 1 to 4 carbon atoms, and R 1 -R 4 represent the same or different optionally substituted tertiary alkyl groups, (c) an acid having a pKa less than 3, as measured at 18° C. in an aqueous solution. &egr;-caprolactam is also prepared by reduction of 5-cyanovaleric acid or ester obtained above to 6-aminocaproic acid or ester, and then cyclisation of the 6-aminocaproic acid or ester to &egr;-caprolactam.

  提供制备5-氰基戊酸或其酯的过程，通过五碳烯腈的羰基化反应，其中五碳烯腈与一氧化碳和水和/或醇在催化剂体系存在下反应。催化剂体系包含：(a) VIII族金属或其化合物和(b) 二齿膦、砷和/或锑配体，其中二齿配体具有通式(I)：R1R2-M1-R-M2-R3R4(I)，其中M1和M2独立地为P、As或Sb，R为双价有机桥接基团，该桥接基团包括直接连接2个磷原子的3到5个原子的链，该链由碳原子和可选的氮、氧或硫原子或硅烷基或二烷基硅基团组成，其中烷基基团独立地包括1到4个碳原子，R1-R4代表相同或不同的可选取代的三级烷基基团，(c) 具有pKa小于3的酸，在18°C的水溶液中测量。此外，通过将上述获得的5-氰基戊酸或酯还原为6-氨基己酸或酯，然后将6-氨基己酸或酯环化为&egr;-己内酰胺，也可以制备&egr;-己内酰胺。
• SCHWEIZER, E. H.;MARKI, F.;LEHMANN, C.;DIETRICH, H., J. MED. CHEM., 1983, 26, N 7, 964-970
  作者：SCHWEIZER, E. H.、MARKI, F.、LEHMANN, C.、DIETRICH, H.

  DOI：——

  日期：——
• PROCESS FOR THE CARBONYLATION OF PENTENENITRILE
  申请人：SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V.

  公开号：EP1263713A2

  公开（公告）日：2002-12-11
• Expanding the Chemical Substrates for Genetic Code Reprogramming
  申请人：Northwestern University

  公开号：US20210230586A1

  公开（公告）日：2021-07-29

  Disclosed are methods, systems, components, and compositions for synthesis of sequence defined polymers. The methods, systems, components, and compositions may be utilized for incorporating novel substrates that include non-standard amino acid monomers and non-amino acid monomers into sequence defined polymers. As disclosed herein, the novel substrates may be utilized for acylation of tRNA via flexizyme catalyzed reactions. The tRNAs thus acylated with the novel substrates may be utilized in synthesis platforms for incorporating the novel substrates into a sequence defined polymer.
• US6743911B2
  申请人：——

  公开号：US6743911B2

  公开（公告）日：2004-06-01