4-nitroso-benzaldehyde | 74663-99-3

• 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: 4-nitroso-benzaldehyde
• 英文别名: p-nitrosobenzaldehyde；Benzaldehyde, 4-nitroso-；4-nitrosobenzaldehyde
• CAS: 74663-99-3
• 化学式: C₇H₅NO₂
• 分子量: 135.122
• InChiKey: JITMZUMTIBUTHH-UHFFFAOYSA-N

物化性质

• 沸点：
  266.9±23.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-nitroso-benzaldehyde 在 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 nitrosonium tetrafluoroborate 、 溶剂黄146 、 三甲基乙酸 作用下， 以 硝基苯 为溶剂， 反应 72.0h， 生成 2-(2-bromo-6-fluorophenyl)-6-formyl-2H-benzo[d][1,2,3]triazole 1-oxide
  参考文献：
  名称：

  Rhodium(III)-catalyzed regioselective C H nitrosation/annulation of unsymmetrical azobenzenes to synthesize benzotriazole N-oxides via a RhIII/RhIII redox-neutral pathway

  摘要：

  DOI：

  10.1016/j.tetlet.2021.153049
• 作为产物：
  描述：

  对硝基苯甲醛 在 乙醇 、 溶剂黄146 、 锌 作用下， 生成 4-nitroso-benzaldehyde
  参考文献：
  名称：

  Alway, Chemische Berichte, 1903, vol. 36, p. 2308

  摘要：

  DOI：

文献信息

• Chemistry of photogenerated α-hydroxy-<i>p</i>-nitrobenzyl carbanions in aqueous solution: protonation vs. disproportionation
  作者：James Morrison、Peter Wan、John ET Corrie、V Ranjit Munasinghe

  DOI：10.1139/v03-045

  日期：2003.6.1

  The photochemistry of p-nitrobenzyl derivatives 6–10 has been studied in aqueous solution as a function of pH, using product analysis, UV–vis spectrophotometry, and laser flash photolysis (LFP). The compounds were chosen with the aim of further exploring the propensity of these systems to give rise to α-hydroxy-p-nitrobenzyl carbanions on photolysis, and to study their mechanisms of subsequent reaction. α-Hydroxy-substituted carbanions are anions that cannot be readily formed using thermal routes but which are believed to have some interesting chemistry. Three methods were employed for photogenerating these carbanions: (i) decarboxylation; (ii) retro-Aldol reaction; and (iii) carbon acid deprotonation. All three methods proved to be successful using the p-nitrobenzyl chromophore. Photogenerated α-hydroxy-p-nitrobenzyl carbanions react via disproportionation, giving rise to oxidized and reduced products; simple protonation of the anion was undetectable.Key words: photodecarboxylation, nitrobenzyl carbanions, photoredox, nitroaromatic compounds, excited-state carbon acids.

  对p-硝基苯甲基衍生物6-10在水溶液中的光化学作用进行了研究，作为pH值的函数，使用产物分析、紫外-可见分光光度法和激光闪光光解（LFP）。选择这些化合物的目的是进一步探索这些体系产生α-羟基-p-硝基苯甲基负离子的倾向，并研究它们后续反应的机制。α-羟基取代的负离子是一类不能通过热路线容易形成的负离子，但据信具有一些有趣的化学性质。用于光生成这些负离子的三种方法包括：（i）脱羧反应；（ii）逆Aldol反应；和（iii）碳酸脱质子化。所有三种方法都证明在p-硝基苯甲基色团中是成功的。光生成的α-羟基-p-硝基苯甲基负离子通过不均化反应，产生氧化和还原产物；负离子的简单质子化是不可检测的。关键词：光脱羧、硝基苯甲基负离子、光氧化还原、硝基芳香化合物、激发态碳酸。
• Methylenecyclopropane Rearrangement as a Probe for Free Radical Substituent Effects. σ ^• Values for Potent Radical-Stabilizing Nitrogen-Containing Substituents
  作者：Xavier Creary、Paul S. Engel、Natasha Kavaluskas、Li Pan、Allison Wolf

  DOI：10.1021/jo990732d

  日期：1999.7.1

  used to calculate sigma (*) values, which are a measure of the radical stabilizing ability of the substituent. Groups such as p-N=N-Bu-t, p-CH=N-Bu-t, p-NH(2), p-CH=N-OH, and p-CH=N-OCH(3), are "good" radical stabilizers. We have also classified groups such as p-CH=N-NMe(2), p-N=N-Ph, p-N=N(O)-Bu-t, p-CH=N(O)-Bu-t, and p-CH=N-O(-) M(+), which have an extraordinarily large radical stabilizing effect

  已经制备了一系列含氮的2-芳基-3，3-二甲基亚甲基环丙烷，并且已经测量了对相应的2-芳基异亚丙基亚环丙烷的重排速率。这些速率取决于芳基对位的含氮基团的性质。重排速率已用于计算σ（*）值，该值是取代基的自由基稳定能力的度量。pN = N-Bu-t，p-CH = N-Bu-t，p-NH（2），p-CH = N-OH和p-CH = N-OCH（3）等基团是“好”的自由基稳定剂。我们还对诸如p-CH = N-NMe（2），pN = N-Ph，pN = N（O）-Bu-t，p-CH = N（O）-Bu-t和p等进行了分类作为“超级稳定剂”，具有特别大的自由基稳定作用的-CH ＝ NO（-）M（+）。这些取代基通过广泛的自旋离域作用稳定了亚甲基环丙烷重排的过渡态。在后三个取代基的情况下，提出了硝酰基型稳定化。对一系列含氮取代的苄基进行了密度泛函计算（B3LYP / 6-31G）。亚甲基环丙烷重排的速
• 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-CF2 ，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。
• HETEROANNELATED ANTHRAQUINONE DERIVATIVES AND THE SYNTHESIS METHOD THEREOF
  申请人：HUANG Hsu-Shan

  公开号：US20090253707A1

  公开（公告）日：2009-10-08

  A heteroannelated anthraquinone derivative compound is provided. The heteroannelated anthraquinone derivative compound is represented by a formula (I): wherein R 1 is a substituent being one selected from a group consisting of i) a first substituent being one selected from a group consisting of a hydryl group, an amino group, a nitro group, a hydroxyl group and a cyan group, ii) a second substituent being one selected from a group consisting of (CH 2 ) n X, a straight (CH 2 ) n alkyl group, a (CH 2 ) n alkoxyl group, a branched (CH 2 ) n alkyl group, a C 3 ˜C 12 nephthenic group, and a C 3 ˜C 12 cyclic alkoxyl group, wherein 1=n=12, and X is a halogen, iii) a third substituent being one selected from a group consisting of a straight C 1 ˜C 8 alkyl group with a double-bond, a C 1 ˜C 8 alkoxyl group with a double-bond, a branched C 1 ˜C 8 alkyl group with a double-bond and a C 3 ˜C 8 nephthenic group with a double-bond, and iv) a fourth substituent of a C 5 ˜C 12 heterocyclic group.

  提供一个杂环化的蒽醌衍生物化合物，所述杂环化的蒽醌衍生物化合物由公式(I)表示： 其中R1是选自以下组中的取代基：i)第一取代基，选自包含羟基、氨基、硝基、羟基和氰基的组，ii)第二取代基，选自包含(CH2)nX、直链( )n烷基、( )n烷氧基、支链( )n烷基、C3˜C12的环烷基和C3˜C12的环烷氧基的组，其中1≤n≤12，X是卤素，iii)第三取代基，选自包含直链C1˜C8的双键烷基、C1˜C8的双键烷氧基、支链C1˜C8的双键烷基和C3˜C8的双键环烷基的组，以及iv)第四取代基为C5˜C12的杂环基团。
• SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE
  申请人：Carter Rich Garrett

  公开号：US20100184986A1

  公开（公告）日：2010-07-22

  Organocatalysts, particularly proline sulfonamide organocatalysts, having a first general formula as follows are disclosed. Embodiments of a method for using these organocatalysts also are disclosed. The method comprises providing a disclosed organocatalyst, and performing a reaction, often an enantioselective or diastereoselective reaction, using the organocatalyst. Solely by way of example, disclosed catalysts can be used to perform aldol reactions, conjugate additions, Michael additions, Robinson annulations, Mannich reactions, α-aminooxylations, α-hydroxyaminations, α-aminations and alkylation reactions. Certain of such reactions are intramolecular cyclizations used to form cyclic compounds, such as 5- or 6-membered rings, having one or more chiral centers. Disclosed organocatalysts generally are much more soluble in typical solvents used for organic synthesis than are known compounds. Moreover, the reaction yield is generally quite good with disclosed compounds, as is their enantioselective and diastereoselective effectiveness.

  披露了具有如下一般公式之一的有机催化剂，尤其是脯氨酸磺酰胺有机催化剂。还披露了使用这些有机催化剂的方法的实施例。该方法包括提供一种披露的有机催化剂，并使用该有机催化剂进行反应，通常是立体选择性的反应或对映选择性反应。仅作为示例，披露的催化剂可用于进行aldol反应、共轭加成、Michael加成、Robinson环化反应、Mannich反应、α-氨基氧化、α-羟基胺化、α-胺化和烷基化反应。其中一些反应是分子内环化反应，用于形成具有一个或多个手性中心的环状化合物，例如5或6元环。披露的有机催化剂通常比已知的化合物更容易溶于用于有机合成的典型溶剂中。此外，使用披露化合物的反应收率通常相当好，它们的对映选择性和非对映选择性效果也很好。