ortho-nitropiperonal | 503853-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: ortho-nitropiperonal
• 英文别名: 4-nitro-piperonaldehyde；2-Nitropiperonal；4-nitro-1,3-benzodioxole-5-carbaldehyde
• CAS: 503853-97-2
• 化学式: C₈H₅NO₅
• mdl: MFCD00047269
• 分子量: 195.131
• InChiKey: KCWXFIYBVUTOGD-UHFFFAOYSA-N

物化性质

• 沸点：
  355.4±42.0 °C(Predicted)
• 密度：
  1.572±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ortho-nitropiperonal 在 吡啶 、 N-氯代丁二酰亚胺 、 盐酸羟胺 、 sodium acetate 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 为溶剂， 反应 14.0h， 生成 N-hydroxy-4-nitro-1,3-benzodioxole-5-carboximidoyl chloride
  参考文献：
  名称：

  Discovery of 3-Amino-4-Chlorophenyl P1 as a novel and potent benzamidine mimic via solid-phase synthesis of an isoxazoline library

  摘要：

  In an effort to identify orally bioavailable factor Xa inhibitors, two isoxazolines libraries were prepared to scan for novel P1 ligands. From this work, 4-chloro-3-aniline was identified as a novel and potent benzamidine mimic. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00130-6
• 作为产物：
  描述：

  4-羟基-3-甲氧基-2-硝基苯甲醛 在 吡啶 、 aluminum (III) chloride 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 ortho-nitropiperonal
  参考文献：
  名称：

  一类抑制丙肝病毒的大环状杂环化合物及其 制备和用途

  摘要：

  本申请涉及一类抑制HCV的化合物，所述化合物由式A表示。本申请还涉及该类化合物的制备和制药用途。

  公开号：

  CN107074876B

文献信息

• Synthesis of 2-amino-4-aryl-7,7-dimethyl-5-oxo-4<i>H</i>-5,6,7,8-tetrahydrobenzo[<i>b</i>]pyran derivatives in ionic liquid medium
  作者：Yuling Li、Baixiang Du、Xiangshan Wang、Daqing Shi、Shujiang Tu

  DOI：10.1002/jhet.5570430323

  日期：2006.5

  In this paper, preparation of 2-Amino-4-aryl-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran derivatives from aromatic aldehyde, malononitrile or cyanoacetate and 5,5-dimethyl-1,3-cyclohexanedione in ionic liquid [bmim+][BF4−] was described. Compared with other methods, this new method has the advantages of easier work-up, milder reaction conditions, high yields and environmentally benign procedure

  本文从芳族醛，丙二腈或氰基乙酸酯和5制备2-氨基-4-芳基-7,7-二甲基-5-氧代-4 H -5,6,7,8-四氢苯并[ b ]吡喃衍生物，5-二甲基-1,3-环己二酮在离子液体[BMIM + ] [BF 4 - ]的说明。与其他方法相比，该新方法具有易于处理，反应条件温和，收率高和对环境有益的优点。
• An alternate approach to quinoline architecture via Baylis–Hillman chemistry: SnCl2-mediated tandem reaction toward synthesis of 4-(substituted vinyl)-quinolines
  作者：Sudharshan Madapa、Virender Singh、Sanjay Batra

  DOI：10.1016/j.tet.2006.06.098

  日期：2006.9

  acetyl derivatives of the Baylis–Hillman adducts obtained from 2-nitrobenzaldehydes and the carbonyl group containing carbon nucleophiles is described. Treatment of these compounds with SnCl2, triggers a tandem reaction wherein reduction of the nitro group is followed by a remarkably regioselective intramolecular cyclization and subsequent dehydrogenation to afford 4-(substituted vinyl)-quinolines.

  描述了从2-硝基苯甲醛获得的Baylis-Hillman加合物的乙酰基衍生物与含羰基的碳亲核试剂之间的S N 2亲核取代反应产物中稠密取代的喹啉的另一种方法。用SnCl 2处理这些化合物触发串联反应，其中硝基的还原，随后是区域选择性的分子内环化反应，然后脱氢，得到4-（取代的乙烯基）-喹啉。
• 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use
  申请人：——

  公开号：US20030229068A1

  公开（公告）日：2003-12-11

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，药物组合物以及预防和治疗涉及中风、癌症等疾病和其他疾病或病症的方法。该发明还涉及制备这些化合物的方法，以及在这些方法中有用的中间体。
• [EN] PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINES AND NOVEL 1,4-DIHYDROPYRIDINES USEFUL AS THERAPEUTIC AGENTS<br/>[FR] PROCEDE DE PREPARATION DE 1,4-DIHYDROPYRIDINES ET NOUVELLES 1,4-DIHYDROPYRIDINES UTILES EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2003099790A1

  公开（公告）日：2003-12-04

  The present invention provides a process for the preparation of 1,4-dihydropyridines of the formula (1), wherein R1 is H, NO2, Cl, OAc, OH, R2 is H, NO2, Cl, -O-CH2-O-, OMe, OAc, OEt, OH, R3 is H, NO2, Cl, N(Me)2, -O- CH2 -O-, OMe, OAc, OH, R4 is H, OMe, OAc, OH, R5 is H, Cl, I, and R6 and R7 are either methyl, ethyl or both by preparing a mixture of an aromatic aldehyde, alkyl acetoacetate and a source of ammonia, adsorbing the prepared mixture and adsorbent till adsorbent becomes free flowing, heating the material so obtained under microwave irradiation, cooling the reaction mixture and recovering the compound of formula (1). The present invention also relates to novel 1,4-dihydropyridines with cardiovascular activity.

  本发明提供了一种制备1,4-二氢吡啶的方法，其化学式为（1），其中R1为H、NO2、Cl、OAc、OH，R2为H、NO2、Cl、-O-CH2-O-、OMe、OAc、OEt、OH，R3为H、NO2、Cl、N(Me)2、-O- CH2 -O-、OMe、OAc、OH，R4为H、OMe、OAc、OH，R5为H、Cl、I，R6和R7为甲基、乙基或两者的混合物，通过制备芳香醛、醋酸烯酮酯和氨源的混合物，吸附制备的混合物和吸附剂直至吸附剂变得自由流动，加热所得材料在微波辐射下，冷却反应混合物，并回收化合物的方法。该发明还涉及具有心血管活性的新型1,4-二氢吡啶。
• SUBSTANCES FOR DYEING KERATINOUS FIBERS
  申请人：Gross Wibke

  公开号：US20100037909A1

  公开（公告）日：2010-02-18

  Disclosed are substances which contain unsaturated, non-aromatic dialdehydes of formula (Ia) and/or the tautomer (Ib) thereof, wherein R 1 , R 2 , and R 3 are defined as indicated in claim 1 , along with at least one CH-acidic compound of formulas (II) and/or (III), wherein R 6 , R 7 , R 8 , R 9 , R 10 , Y, X − , Het, and X 1 are defined as indicated in claim 1 , in a cosmetic carrier. Said substances color keratinous fibers, especially human hair, in an intensive, colorfast, natural brown shade.

  本发明涉及一种含有式(Ia)和/或其互变异构体(Ib)的不饱和非芳香二醛的物质，其中R1、R2和R3如权利要求1所示定义，以及至少一种式(II)和/或(III)的CH-酸性化合物，其中R6、R7、R8、R9、R10、Y、X−、Het和X1如权利要求1所示定义，在一种化妆品载体中。所述物质能够使角质纤维，尤其是人类头发，在一种浓郁、色牢、自然棕色的色调中着色。