4-(3-nitrobenzylidene)-2-methyloxazoline-5-one | 57731-07-4

• 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: 4-(3-nitrobenzylidene)-2-methyloxazoline-5-one
• 英文别名: 2-methyl-4-(3-nitrobenzylidene)oxazol-5(4H)-one；(4Z)-2-methyl-4-(3-nitrobenzylidene)-1,3-oxazol-5(4H)-one；(4Z)-2-methyl-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
• CAS: 57731-07-4
• 化学式: C₁₁H₈N₂O₄
• mdl: MFCD00068235
• 分子量: 232.196
• InChiKey: ABNNCLKVUMXLSZ-POHAHGRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3-nitrobenzylidene)-2-methyloxazoline-5-one 在 盐酸 、 sodium hydroxide 、 sodium tetrahydroborate 作用下， 生成 2-hydroxy-3-(3-nitrophenyl)propionic acid
  参考文献：
  名称：

  Deracemisation of aryl substituted α-hydroxy esters using Candida parapsilosis ATCC 7330: effect of substrate structure and mechanism

  摘要：

  Candida parapsilosis ATCC 7330 was found to be an efficient biocatalyst for the deracemisation of aryl alpha-hydroxy esters (65-85% yield and 90-99% ee). A variety of aryl and aryl substituted alpha-hydroxy esters were synthesized to reflect steric and electronic effects on biocatalytic deracemisation. The mechanism of this biocatalytic deracemisation was found to be stereoinversion. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.104
• 作为产物：
  描述：

  间硝基苯甲醛 、 N-乙酰甘氨酸 在 sodium acetate 、 乙酸酐 作用下， 反应 5.0h， 以80%的产率得到4-(3-nitrobenzylidene)-2-methyloxazoline-5-one
  参考文献：
  名称：

  A Modified Synthesis of (±)-β-Aryllactic acids

  摘要：

  据报道，丹参中活性成分的外消旋形式，即（±）-ß-(3,4-二羟基苯基)乳酸[(±)-3-(3,4-二羟基苯基)-2-羟基丙酸]及其七种外消旋衍生物已成功合成。

  DOI：

  10.1055/s-1992-26228

文献信息

• Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field
  申请人：Naccari Giancarlo

  公开号：US20090048343A1

  公开（公告）日：2009-02-19

  The present invention relates to compounds comprising the general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR 3 , —CH(OR 3 )COOH, in which R 3 is selected from H, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及具有一般式（I）的化合物，其中R1和R2，可以相同也可以不同，选自包括-H或具有1至6个碳原子的直链或支链烷基基团，或者共同形成具有5或6个原子的芳香或脂肪环的群；Y和Z，可以相同也可以不同，选自包括-H，-OH，-COOH，-OR3，-CH(OR3)COOH的群，其中R3选自H，苯基，苄基，-CF3或-CF2CF3，乙烯基，烯丙基和具有1至6个碳原子的直链或支链烷基基团。
• A Modified Synthesis of (±)-β-Aryllactic acids
  作者：Henry N. C. Wong、Zun Le Xu、Hson Mou Chang、Chi Ming Lee

  DOI：10.1055/s-1992-26228

  日期：——

  The synthesis of racemic forms of the reportedly active principle of Danshen, namely (±)-ß-(3,4-dihydroxyphenyl)lactic acid [(±)- 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid] and its seven racemic derivatives is reported.

  据报道，丹参中活性成分的外消旋形式，即（±）-ß-(3,4-二羟基苯基)乳酸[(±)-3-(3,4-二羟基苯基)-2-羟基丙酸]及其七种外消旋衍生物已成功合成。
• A novel synthesis of 2-acetyl-3-substituted-6-oxo-5-(arylmethylene)-1H-1,2,4-triazines
  作者：T.V. Maruthikumar、P. Hanumantha Rao

  DOI：10.1515/hc.2003.9.2.195

  日期：2003.1

  obtained in their faction as anti-bacterials, antimalarials, anti-inflammatory agents," antivirals," antipsoriatics,' antihypertensives,' antiarthritics and coccidiostats. Other significant industrial attention was also paid to the triazines as pestisides, synthetic high polymers, chemical coatings, photographic fogging agent, dyes and intermediates in platsic manufacture. As a result of their demonstrated

  4-亚芳基-2-甲基恶唑啉-5-酮和4-亚芳基-2-苯基恶唑啉-5-酮与水合肼的温和处理得到相应的肉桂酰肼。这些与过量乙酸酐一起得到标题1,2,4三嗪。引言 文献中记录了 1,2,4-三嗪环系统的大量用途。作为抗菌剂、抗疟药、抗炎药、“抗病毒药”、“抗银屑病药”、“抗高血压药”、“抗关节炎药”和抗球虫药，在他们的派系中获得了令人印象深刻的结果。三嗪作为农药、合成高聚物、化学涂料、照相雾化剂、染料和塑料制造中的中间体也引起了其他重要的工业关注。由于它们在许多应用中表现出的实用性，根据光谱数据，该化合物的结构已指定为 2-乙酰基-3-甲基-6-氧代-5-(4-氟苯基亚甲基)-1//-1,2,4 三嗪烯 (3a)。3 的形成可以根据乙酸酐对 2 的伯氨基的攻击得到最好的解释，导致不稳定的中间体 4。它在酸的存在下很容易发生脱水环化 * 应联系谁（上一篇名字是P.Hanumanthu）
• Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field
  申请人：Naccari Giancarlo

  公开号：US20130005813A1

  公开（公告）日：2013-01-03

  The present invention relates to compounds comprising the general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR 3 , —CH(OR 3 )COOH, in which R 3 is selected from H, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及通式（I）的化合物，其中R1和R2可以相同或不同，选自包括-H或具有1到6个碳原子的线性或支链烷基或共同形成具有5或6个原子的芳香或脂肪环的群体；Y和Z可以相同或不同，选自包括-H、-OH、-COOH、-OR3、-CH（OR3）COOH的群体，其中R3选自H、苯基、苄基、-CF3或-CF2CF3、乙烯基、丙烯基和具有1到6个碳原子的线性或支链烷基。
• Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field
  申请人：Nogra Pharma Limited

  公开号：US10016381B2

  公开（公告）日：2018-07-10

  The present invention relates to compounds comprising the general formula (I), in which R1 and R2, which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR3, —CH(OR3)COOH, in which R3 is selected from H, phenyl, benzyl, —CF3 or —CF2CF3, vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及包含通式(I)的化合物，其中 R1 和 R2（可以相同或不同）选自-H 或具有 1 至 6 个碳原子的直链或支链烷基，或共同形成具有 5 或 6 个原子的芳香族或脂肪族环；Y 和 Z（可以相同或不同）选自-H、-OH、-COOH、-OR3、-CH(OR3)COOH 组，其中 R3 选自 H、苯基、苄基、-CF3 或-CF2CF3、乙烯基、烯丙基和具有 1 至 6 个碳原子的直链或支链烷基。