2-氯-3-硝基苄醇 | 89639-98-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-3-硝基苄醇
• 英文名称: (2-chloro-3-nitrophenyl)methanol
• 英文别名: 2-chloro-3-nitrobenzyl alcohol；2-chloro-3-nitrobenzenemethanol；3-nitro-2-chlorobenzyl alcohol；2-chloro-3-nitrobenzylalcohol；2-Chlor-3-nitro-benzylalkohol
• CAS: 89639-98-5
• 化学式: C₇H₆ClNO₃
• mdl: MFCD08236803
• 分子量: 187.583
• InChiKey: MOCPJIDJALBRIX-UHFFFAOYSA-N

物化性质

• 密度：
  1.476

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2906299090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P501,P273,P260,P270,P264,P280,P391,P314,P337+P313,P305+P351+P338,P301+P312+P330
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H319,H372,H410

反应信息

• 作为反应物：
  描述：

  2-氯-3-硝基苄醇 在 四(三苯基膦)钯 草酰氯 、 potassium carbonate 、 二甲基亚砜 、 三苯基膦 作用下， 以 二氯甲烷 、 水 、 邻二氯苯 、 甲苯 为溶剂， 反应 32.5h， 生成 9H-carbazole-4-carbaldehyde
  参考文献：
  名称：

  Carbazole inhibitors of histamine receptors for the treatment of disease

  摘要：

  本发明涉及咔唑化合物，包括它们的药物组合物，以及可能作为H1R和/或H4R的抑制剂用于治疗或预防炎症性、自身免疫性、过敏性和眼部疾病的方法。

  公开号：

  US08080566B1
• 作为产物：
  描述：

  7-硝基-1-汞杂-2-氧杂茚满-3-酮 在 硼烷四氢呋喃络合物 、 氯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 2-氯-3-硝基苄醇
  参考文献：
  名称：

  Preparation and NMR Analysis of 2,6-Heterodifunctional Halobenzenes as Precursors for Substituted Biphenyls

  摘要：

  Preparation and complete characterization of 16 2,6-disubstituted halobenzenes, including nine new compounds, from two common starting materials is described. Seven of the new compounds contain one or two propylthio groups, which have been introduced in two ways. Direct reaction of arenediazonium salts with 1-propanethiolate gives yields comparable to those obtained in a three-step method through sulfonyl chlorides. The H-1- and C-13 NMR chemical shifts of 17 1,2,3-trisubstituted benzenes have been correlated with the predicted values and the observed trends explained using commonly available modeling packages. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01019-4

文献信息

• [EN] DOPAMINE D3 RECEPTOR SELECTIVE ANTAGONISTS/PARTIAL AGONISTS; METHOD OF MAKING; AND USE THEREOF<br/>[FR] ANTAGONISTES/AGONISTES PARTIELS SÉLECTIFS DU RÉCEPTEUR D3 DE LA DOPAMINE ; PROCÉDÉ DE PRÉPARATION ; ET UTILISATION ASSOCIÉE
  申请人：US HEALTH

  公开号：WO2017160552A1

  公开（公告）日：2017-09-21

  Disclosed herein novel dopamine D3 receptor selective antagonists/partial agonists compounds with high affinity and metabolic stability useful for the treatment of psychiatric and neurological disorders and as research and diagnostic tools. Also disclosed are methods of making the compounds.

  本文披露了一种新型多巴胺D3受体选择性拮抗剂/部分激动剂化合物，具有高亲和力和代谢稳定性，可用于治疗精神疾病和神经系统疾病，并作为研究和诊断工具。还披露了制备这些化合物的方法。
• Novel fenamic acid methyl hydroxamate derivatives having cyclooxygenase
  申请人：Warner-Lambert Company

  公开号：US05017604A1

  公开（公告）日：1991-05-21

  The present invention is novel selected hydroxamic acid derivatives of fenamic acids having 5-lipoxygenase and cyclooxygenase inhibiting properties, pharmaceutical compositions for treating conditions advantageously affected by the inhibition and methods for treating these conditions in mammals, including humans suffering therefor.

  本发明涉及新颖的芬那酸类羟肟酸衍生物，具有5-脂氧合酶和环氧合酶抑制特性，用于治疗可通过抑制这些酶而获益的病症的药物组合物，以及治疗包括人类在内的哺乳动物因此类病症而受苦的方法。
• Aniline derivatives possessing an inhibitory effect of nitric oxide synthase
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06534546B1

  公开（公告）日：2003-03-18

  Compounds represented by the general formula (1):   (where R1 is SR6 or NR7R8, where R6 is typically an alkyl group having 1-6 carbon atoms, R7 is a hydrogen atom, an alkyl group having 1-6 carbon atoms or a nitro group, and R8 is a hydrogen atom or an alkyl group having 1-6 carbon atoms; R2 and R3 are each typically a hydrogen atom or an alkyl group having 1-6 carbon atoms; R4 is a hydrogen atom, an alkyl group having 1-6 carbon atoms or an amidino group of which the amine portion may be substituted by an alkyl or nitro group; R5 is a hydrogen atom or an alkyl group having 1-6 carbon atoms; Y1, Y2, Y3 and Y4 which may be the same or different are each typically a hydrogen atom, a halogen atom or an alkoxy group having 1-6 carbon atoms; n and m are each an integer of 0 or 1), or possible stereoisomers or optically active forms of the compounds or pharmaceutically acceptable salts thereof. The compounds possess a potent nitric oxide synthase inhibiting activity and are useful as therapeutics of cerebrovascular diseases.

  由一般式（1）表示的化合物：（其中R1为SR6或NR7R8，其中R6通常为具有1-6个碳原子的烷基基团，R7为氢原子、具有1-6个碳原子的烷基基团或硝基基团，R8为氢原子或具有1-6个碳原子的烷基基团；R2和R3通常为氢原子或具有1-6个碳原子的烷基基团；R4为氢原子、具有1-6个碳原子的烷基基团或其胺部分可能被烷基或硝基基团取代的酰胺基团；R5为氢原子或具有1-6个碳原子的烷基基团；Y1、Y2、Y3和Y4可能相同或不同，通常为氢原子、卤素原子或具有1-6个碳原子的烷氧基团；n和m各自为0或1的整数），或这些化合物的可能立体异构体或光学活性形式，或其药学上可接受的盐。这些化合物具有强效的一氧化氮合酶抑制活性，并可用作脑血管疾病的治疗药物。
• General synthetic strategies towards N-alkyl sulfoximine building blocks for medicinal chemistry and the use of dimethylsulfoximine as a versatile precursor
  作者：Frederick W. Goldberg、Jason G. Kettle、Jian Xiong、Daoguang Lin

  DOI：10.1016/j.tet.2014.06.120

  日期：2014.9

  The sulfoximine group has great potential as a substituent in drug discovery, as evidenced by two new clinical candidates, and can be viewed as an isosteric alternative to the commonly used sulfone. Our aim was to improve the accessibility of this group by synthesising a diverse range of S-alkyl and N-alkyl sulfoximine building blocks with procedures that are applicable on a practical scale (>10 g)

  如两个新的临床候选药所证明的，亚砜亚胺基团在药物开发中具有巨大的取代基潜力，并且可以被视为通常使用的砜的等规替代物。我们的目的是通过合成各种范围的S-烷基和N-烷基硫代肟基结构单元，并以实用规模（> 10 g）应用的方法，以改善该基团的可及性。特别地，讨论了开发程度较差的N-烷基亚磺酰亚胺的合成以及二甲基亚磺酰亚胺作为通用的，可商购的前体的用途。
• OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF
  申请人：Hahn Michael

  公开号：US20110034450A1

  公开（公告）日：2011-02-10

  The present application relates to novel carboxylic acid derivatives having an oxo-substituted azaheterocyclic partial structure, processes for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for producing medicaments for the treatment and/or prophylaxis of diseases, especially for the treatment and/or prevention of cardiovascular disorders.

  本申请涉及具有氧代取代的氮杂杂环部分结构的新型羧酸衍生物，其制备方法，其用于治疗和/或预防疾病的用途，以及其用于生产用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病的用途。