2-Nitro-benzaldehyd | 861528-91-8

• 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-Nitro-benzaldehyd
• 英文别名: nitrobenzaldehyde；α-nitro-benzaldehyde；nitroformylbenzene；Nitrophenylketone；nitro(phenyl)methanone
• CAS: 861528-91-8
• 化学式: C₇H₅NO₃
• 分子量: 151.122
• InChiKey: OHHGURYQOBQYHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 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：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Nitro-benzaldehyd 在 HCl (g) 作用下， 以 溶剂黄146 为溶剂， 以16.2 g (66%)的产率得到苯甲醯亞胺酸
  参考文献：
  名称：

  Inhibitors of protein tyrosine kinases

  摘要：

  披露了小分子、非肽类蛋白酪氨酸激酶抑制剂，以及它们的使用方法。本发明的抑制剂基于1,4-苯并二氮杂-2-酮核心结构。提供了抑制特定蛋白酪氨酸激酶的方法，例如pp60.sup.c-src。进一步提供了在这些抑制剂的使用情况下，例如在治疗哺乳动物，包括人类的某些疾病时，抑制蛋白酪氨酸激酶的方法。

  公开号：

  US06100254A1
• 作为产物：
  描述：

  苯甲醛 在 硫酸 、 硝酸 作用下， 生成 2-Nitro-benzaldehyd 、 间硝基苯甲醛
  参考文献：
  名称：

  Lippmann; Hawliczek, Chemische Berichte, 1876, vol. 9, p. 1463

  摘要：

  DOI：

文献信息

• Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150307465A1

  公开（公告）日：2015-10-29

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -, -L 2 -, and -L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (“Aβ”) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's disease, are also disclosed.

  本发明提供了多种形式的亚氨基噻二唑二氧化物化合物，包括公式(I)的化合物： 包括它们的立体异构体，以及所述立体异构体的药用可接受盐，其中R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、-L2-和-L3-都是独立选择且按本文定义。发明的新型亚氨基噻二唑二氧化物化合物出人意料地被发现具有预期的特性，使其作为BACE抑制剂以及/或用于治疗和预防与β-淀粉样蛋白（“Aβ”）生成相关的各种病理学具有优势。还公开了包含一个或多个此类化合物（单独使用和与一个或多个其他活性成分组合使用）的药物组合物，以及它们的制备方法和用于治疗与淀粉样β（Aβ）蛋白相关的病理学，包括阿尔茨海默病的方法。
• Derivatives of heterocycles with 5 members, their preparation and their use as medicaments
  申请人：——

  公开号：US20040132788A1

  公开（公告）日：2004-07-08

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) 1 wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and &OHgr; is —NR 46 R 47 or —OR 48 R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及噻唑、噁唑、咪唑、异噁唑和异噁唑啉的一般式(I)衍生物，其中Het为噻唑、噁唑、咪唑、异噁唑或异噁唑啉，n为0至6的整数，A特别选自各种可任选取代的芳香族基团，B特别为氢、烷基或苯基，R1和R2特别独立地为氢、烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢、烷基、环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学特性，使其可用于治疗学，特别是用于治疗神经退行性疾病或疼痛。
• Stitching Ynones with Nitromethanes: Domino Synthesis of Functionally Enriched Benzofurans and Benzothiophenes
  作者：Shweta Singh、Sharanya Nerella、Srihari Pabbaraja、Goverdhan Mehta

  DOI：10.1021/acs.joc.1c01104

  日期：2021.9.3

  This benzannulation was also explored with furan/thiophene based o-halo ynones wherein a Michael addition-SNAr process operates and nitromethanes leave their imprint to deliver nitro substituted benzo-furans and -thiophenes.

  已发现区域异构的 2-或 3-取代呋喃和噻吩炔酮与一系列硝基甲烷的方便的一锅苯并环化可直接获得密集且多样化的功能化苯并呋喃和苯并噻吩。在该协议中，硝基甲烷中的硝基作为递归碳负离子活化剂来设置串联迈克尔加成-6π-电环化，其最终的牺牲消除促进了芳构化和整体苯环化。还使用基于呋喃/噻吩的邻卤炔酮对这种苯环化进行了探索，其中迈克尔加成-S N Ar 过程运行，硝基甲烷留下它们的印记以提供硝基取代的苯并呋喃和噻吩。
• Compounds for treatment of lipase-mediated diseases
  申请人：Upadhyay Shakti

  公开号：US20070054958A1

  公开（公告）日：2007-03-08

  Novel benzoquinone-derived compounds and polymorphs, prodrugs, geometric or optical isomers thereof, and pharmaceutically acceptable esters, ethers, carbamates, oximes of such compounds, polymorphs, prodrugs and isomers are provided. Process for preparation of compounds of the invention and pharmaceutical compositions containing such compounds and their use for reducing or inhibiting activity of lipase gene family for treatment, amelioration or prevention of lipase gene family mediated diseases and conditions including overweight, obesity, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, pancreatitis, diabetes, atherosclerosis, other cardiovascular diseases, metabolic syndromes, and metabolic disorders are provided. Methods of use of the compounds for skin care, hair care and cosmetics are provided.

  提供了新型苯醌衍生化合物和多形体、前药、其几何或光学异构体，以及这些化合物、多形体、前药和异构体的药用可接受的酯、醚、碳酸酯、肟。提供了制备本发明化合物的方法和含有这些化合物的药物组合物，以及它们用于减少或抑制脂肪酶基因家族活性，用于治疗、改善或预防脂肪酶基因家族介导的疾病和症状，包括超重、肥胖、高脂血症、高胆固醇血症、高甘油三酯血症、胰腺炎、糖尿病、动脉粥样硬化、其他心血管疾病、代谢综合征和代谢紊乱。提供了用于皮肤护理、头发护理和化妆品的化合物的使用方法。
• 1-Phenyl-5-heterocyclic-1H-1, 2,4-triazole-3-carboxamide derivates, process for preparation of the same, and fungicidal composition comprising the same
  申请人：KUREHA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0562479A1

  公开（公告）日：1993-09-29

  A derivative of 1-phenyl-5-heterocyclic-1H-1,2,4-triazole-3-carboxamide represented by the following general formula (I), a process for the manufacture thereof, and an fungicidal composition comprising the same as an active ingredient. wherein R¹ is a C₁-C₆ alkyl group, R² is a C₁-C₈ alkyl group or a phenylmethyl group, X¹ represents a hydrogen atom, a C₁-C₄ alkyl group or a halogen atom, Y¹ is a hydrogen atom or a C₁-C₄ alkyl group, Y² is a hydrogen atom, a C₁-C₄ alkyl group, or a halogen atom, A¹ represents a group -N=CH-, -NH-, -N(C₁-C₄ alkyl)-, -N(Ph)-, -O-, or -S-, and W¹ denotes a group -C(W²)= or -N=, wherein W² is a hydrogen atom, a C₁-C₄ alkyl group, or a halogen atom.

  一种由以下通用公式（I）表示的1-苯基-5-杂环-1H-1,2,4-三唑-3-羧酰胺的衍生物，其制备方法，以及包含其作为活性成分的杀真菌组合物。其中R¹是C₁-C₆烷基，R²是C₁-C₈烷基或苯甲基，X¹代表氢原子，C₁-C₄烷基或卤素原子，Y¹是氢原子或C₁-C₄烷基，Y²是氢原子，C₁-C₄烷基或卤素原子，A¹表示基团-N=CH-，-NH-，-N（C₁-C₄烷基）-，-N（Ph）-，-O-或-S-，W¹表示基团-C（W²）=或-N=，其中W²是氢原子，C₁-C₄烷基或卤素原子。