2-cyano-N-(2-phenylethyl)acrylamide | 1276031-78-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-cyano-N-(2-phenylethyl)acrylamide
• 英文别名: 2-cyano-N-(2-phenylethyl)prop-2-enamide
• CAS: 1276031-78-7
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: DOOAMTPNDPPSAS-UHFFFAOYSA-N

物化性质

• 沸点：
  437.9±45.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  谷胱甘肽 、 thymidine 5'-bis[3-acetyloxy-2-cyano-2-(2-phenylethylcarbamoyl)propyl]phosphate 在 水 、 sodium chloride 作用下， 反应 48.0h， 生成 L-谷胱甘肽 (氧化型) 、 2-oxo-1-phenethylazetidine-3-carbonitrile 、 2-(phenethylimino)oxetane-3-carbonitrile 、 2-cyano-N-(2-phenylethyl)acrylamide 、 2-cyano-3-hydroxy-N-(2-phenylethyl)propanamide 、 、 N5-((2R)-1-((carboxymethyl)amino)-3-((2-cyano-3-oxo-3-(phenethylamino)propyl)thio)-1-oxopropan-2-yl)-L-glutamine 、
  参考文献：
  名称：

  3-乙酰氧基-2-氰基-2-(烷基氨基氨基甲酰基)丙基作为核苷5'-单磷酸酯的可生物降解保护基团

  摘要：

  胸苷 5´-双[3-乙酰氧基-2-氰基-2-(2-苯基乙基氨基甲酰基)丙基]磷酸酯 (1) 已制备，并通过猪肝羧酸酯酶 (HLE) 在 pH 7.5 和 37° 下去除磷酸保护基团C之后是HPLC。第一个可检测的中间体是单去乙酰化三酯 14 的 (RP)-和 (SP)-非对映异构体，它们随后同时进行逆羟醛缩合生成二酯 4 和酶催化水解生成完全去乙酰化的三酯 15。前一种途径占优势，占 14 总分解的 90%。二酯 4 的酶脱乙酰比三酯少 700 倍，但最终得到胸苷 5'-单磷酸作为所需的主要产物。

  DOI：

  10.3390/molecules16010552

文献信息

• METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND
  申请人：Motoki Masuji

  公开号：US20090240067A1

  公开（公告）日：2009-09-24

  A method of producing a compound represented by formula (1), including: allowing 1,4-benzoquinone or 1,2-benzoquinone to react with a dithiocarbamate compound represented by formula (2) in a polar solvent: wherein R 1 and R 2 each independently represent a hydrogen atom, an alkyl group, an aryl group or a heterocyclic group, R 1 and R 2 may be the same or different and may be combined with each other to form a ring, X represents an ion necessary to neutralize the charge of the molecule, m represents an integer of 1 to 2, n represents an integer of 1 to 2, M represents a hydrogen atom, a metal atom or a conjugate acid of a base, p represents an integer of 1 to 4, and q represents an integer of 1 to 4.

  一种生产由化学式（1）表示的化合物的方法，包括：允许1,4-苯醌或1,2-苯醌在极性溶剂中与由化学式（2）表示的二硫代氨基甲酸盐化合物发生反应：其中R1和R2各自独立地表示氢原子、烷基、芳基或杂环基，R1和R2可以相同也可以不同，并且可以结合在一起形成环，X表示中性化分子电荷所需的离子，m表示1至2的整数，n表示1至2的整数，M表示氢原子、金属原子或碱的共轭酸，p表示1至4的整数，q表示1至4的整数。
• ULTRAVIOLET ABSORBENT COMPOSITION
  申请人：Hanaki Naoyuki

  公开号：US20100025642A1

  公开（公告）日：2010-02-04

  An ultraviolet absorbent composition, containing: at least one kind of ultraviolet absorbent A having an absorption maximum wavelength of from 350 nm to 400 nm, a half value width of 55 nm or less and a molar extinction coefficient of 20,000 or more at the absorption maximum wavelength; and at least one kind of ultraviolet absorbent B having an absorption maximum wavelength of 350 nm or less and showing 30% or more of absorbance at 320 nm of the absorbance at the absorption maximum wavelength.
• HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME
  申请人：Hanaki Naoyuki

  公开号：US20100210762A1

  公开（公告）日：2010-08-19

  A compound represented by formula (I-1): wherein R 21 , R 22 , R 23 and R 24 each independently represent a hydrogen atom or a monovalent substituent, with the proviso that compounds, in which R 21 , R 22 , R 23 and R 24 each are an alkylthio group, are excluded; R 21 and R 22 and/or R 23 and R 24 each may bond to each other to form a ring, with the proviso that compounds, in which the formed ring is a dithiol ring or a dithiolane ring, are excluded; R 25 and R 26 each independently represent a hydrogen atom or a monovalent substituent; X 21 , X 22 , X 23 and X 24 each independently represent a hetero atom; compounds, wherein R 21 , R 22 , R 23 and R 24 each represent a cyan group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group or a hydrogen atom, are excluded; and compounds, wherein R 21 and R 23 each represent a hydrogen atom; R 22 and R 24 each represent an arylcarbonyl group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group, are excluded; and an ultraviolet absorbent, which has molecular weight of 10,000 or less and molar extinction coefficient at the maximum absorption wavelength of the ultraviolet absorbent of 80,000 or more.
• US8039532B2
  申请人：——

  公开号：US8039532B2

  公开（公告）日：2011-10-18
• 3-Acetyloxy-2-cyano-2-(alkylaminocarbamoyl)propyl Groups as Biodegradable Protecting Groups of Nucleoside 5´-mono-Phosphates
  作者：Mikko Ora、Anne Mäntyvaara、Harri Lönnberg

  DOI：10.3390/molecules16010552

  日期：——

  (SP)-diastereomers of the monodeacetylated triester 14, which subsequently undergo concurrent retro-aldol condensation to diester 4 and enzyme-catalyzed hydrolysis to the fully deacetylated triester 15. The former pathway predominates, representing 90% of the overall breakdown of 14. The diester 4 undergoes the enzymatic deacetylation 700 times less readily than the triester, but gives finally thymidine 5´-monophosphate

  胸苷 5´-双[3-乙酰氧基-2-氰基-2-(2-苯基乙基氨基甲酰基)丙基]磷酸酯 (1) 已制备，并通过猪肝羧酸酯酶 (HLE) 在 pH 7.5 和 37° 下去除磷酸保护基团C之后是HPLC。第一个可检测的中间体是单去乙酰化三酯 14 的 (RP)-和 (SP)-非对映异构体，它们随后同时进行逆羟醛缩合生成二酯 4 和酶催化水解生成完全去乙酰化的三酯 15。前一种途径占优势，占 14 总分解的 90%。二酯 4 的酶脱乙酰比三酯少 700 倍，但最终得到胸苷 5'-单磷酸作为所需的主要产物。