2-羟基-4-硝基苯腈 | 39835-14-8

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-羟基-4-硝基苯腈
• 中文别名: 2-羟基-4-硝基苯甲腈
• 英文名称: 2-hydroxy-4-nitro-benzonitrile
• 英文别名: 2-Hydroxy-4-nitrobenzonitrile
• CAS: 39835-14-8
• 化学式: C₇H₄N₂O₃
• mdl: MFCD02258875
• 分子量: 164.12
• InChiKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N

物化性质

• 熔点：
  160-161°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2-羟基-4-硝基苯腈 在 盐酸 、 sodium p-nitrosalicylate 、 水 、 镍 作用下， 生成 4-氨基水杨酸
  参考文献：
  名称：

  Justoni; Terruzzi; Pirola, Il Farmaco, scienza e tecnica, 1948, vol. 3, p. 509,523

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二硝基甲苯 在 sodium ethanolate 、 亚硝酸异戊酯 作用下， 生成 2-羟基-4-硝基苯腈
  参考文献：
  名称：

  Borsche, Justus Liebigs Annalen der Chemie, 1912, vol. 390, p. 23

  摘要：

  DOI：

文献信息

• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• Regioselective Cleavage Reaction of the Aromatic Methylenedioxy Ring. V. Cleavage with Sodium Alkoxides - Alcohols, Potassium tert-Butoxide - Alcohols, Dimsyl Anion - Methyl Alcohol, Metallic Sodium - Alcohols, and Sodium Cyanide in Dipolar Aprotic Solvents.
  作者：Yasuhiro IMAKURA、Kazuto OKIMOTO、Tatsuya KONISHI、Mariko HISAZUMI、Junyo YAMAZAKI、Shigeru KOBAYASHI、Shinsuke YAMASHITA

  DOI：10.1248/cpb.40.1691

  日期：——

  The reaction of aromatic methylenedioxy compounds containing electron-withdrawing groups with dimsyl anion-methyl alcohol, potassium tert-butoxide-alcohols, and metallic sodium-alcohols in dimethyl sulfoxide (DMSO), and with sodium alkoxides-alcohols in hexamethylphosphoramide, gave 3- and 4-hydroxybenzene derivatives in good yield by regioselective attack of the alkoxide ions on the methylenedioxy ring. The formation mechanism of alkoxide ions and the effect of DMSO in the cleavage reaction of the methylenedioxy ring are discussed on the basis of proton nuclear magnetic resonance (1H-NMR) spectra. The reactions of aromatic methylenedioxy compounds (3 and 22) with sodium cyanide in dipolar aprotic solvents gave 4-cyano-3-hydroxybenzene derivatives (23 and 24) by regioselective attack of the cyanide ion on the methylenedioxy ring. The reactions of aromatic methylenedioxy compounds (28-30) containing no electron-withdrawing group with MeONa-MeOH in dipolar aprotic solvents gave non-regioselective cleavage products (31 and 34).

  甲基二氧芳香族化合物与二甲基亚砜（DMSO）中的二甲基磺酸酯阴离子-甲醇、叔丁醇钾-醇以及金属钠-醇反应，以及与六甲基磷酰胺中的烷氧化钠-醇反应，通过烷氧化离子对甲基二氧环的选择性攻击，以良好的产率得到3-和4-羟基苯衍生物。根据质子核磁共振（1H-NMR）谱，讨论了烷氧化离子的形成机制以及DMSO对甲基二氧环裂解反应的影响。芳香族甲基二氧化合物（3和22）与氰化钠在偶极非质子溶剂中的反应，通过氰化物离子对甲基二氧环的选择性攻击，得到4-氰基-3-羟基苯衍生物（23和24）。不含吸电子基团的芳香族甲基二氧化合物（28-30）与甲醇钠-甲醇在偶极非质子溶剂中的反应，得到非选择性裂解产物（31和34）。
• [EN] QUINAZOLINONE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINONE
  申请人：CELLTECH R&D LTD

  公开号：WO2004018462A1

  公开（公告）日：2004-03-04

  A compound of formula (1): wherein: X is an oxygen or sulfur atom; R1 is an aliphatic, cycloaliphatic or cycloalkyl-alkyl-group; R2 is an optionally substituted heteroaromatic group or a -CN group; R3 is a group -(Alk1)mL1(Alk2)nR6 in which m and n, which may be the same or different, is each zero or the integer 1, Alk1 and Alk2, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L1 is a covalent bond or a linker atom or group and R6 is a hydrogen atom or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R4 is a group -(Alk3)pL2(Alk4)qR7 in which p and q, which may be the same or different, is each zero or the integer 1, Alk3 and Alk4, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L2 is a covalent bond or a linker atom or group and R7 is a hydrogen or halogen atom or a -CN group or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R5 is a hydrogen atom or an optionally substituted aliphatic group; and the salts, solvates, hydrates, tautomers, isomers or N-oxides thereof. The compounds of the present invention are potent inhibitors of IMPDH.

  翻译结果如下： 公式(1)的化合物：其中：X是氧原子或硫原子；R1是脂肪族、环脂肪族或环烷基-烷基团；R2是可选地取代的杂芳基团或-CN基团；R3是组-(Alk1)mL1(Alk2)nR6，其中m和n相同或不同，都是零或整数1，Alk1和Alk2相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L1是共价键或连接原子或团，R6是氢原子或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R4是组-(Alk3)pL2(Alk4)qR7，其中p和q相同或不同，都是零或整数1，Alk3和Alk4相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L2是共价键或连接原子或团，R7是氢或卤素原子或-CN基团或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R5是氢原子或可选地取代的脂肪族团；以及其盐、溶剂化物、水合物、互变异构体、同分异构体或N-氧化物。本发明的化合物是IMPDH的强效抑制剂。
• [EN] CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS<br/>[FR] COMPOSÉS DE CARBAZOLE ET DE CARBOLINE DESTINÉS À ÊTRE UTILISÉS DANS LE DIAGNOSTIC, LE TRAITEMENT, L'ATTÉNUATION OU LA PRÉVENTION DE TROUBLES ASSOCIÉS AUX PROTÉINES AMYLOÏDES ET DE TYPE AMYLOÏDE
  申请人：AC IMMUNE SA

  公开号：WO2015110263A1

  公开（公告）日：2015-07-30

  The present invention relates to novel compounds that can be employed in the diagnosis, treatment, alleviation or prevention of a group of disorders and abnormalities associated with amyloid proteins and amyloid-like proteins, such as Alzheimer's disease. Precursors for the preparation of the compounds according to the present invention are also provided.

  本发明涉及一种新型化合物，可用于诊断、治疗、缓解或预防与淀粉样蛋白和类淀粉样蛋白相关的一组疾病和异常，如阿尔茨海默病。本发明还提供了制备这些化合物的前体。
• Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins
  申请人：AC IMMUNE SA

  公开号：US20170002005A1

  公开（公告）日：2017-01-05

  The present invention relates to novel compounds that can be employed in the diagnosis, treatment, alleviation or prevention of a group of disorders and abnormalities associated with amyloid proteins and amyloid-like proteins, such as Alzheimer's disease. Precursors for the preparation of the compounds according to the present invention are also provided.

  本发明涉及可用于诊断、治疗、缓解或预防与淀粉样蛋白和类淀粉样蛋白相关的一组疾病和异常的新化合物，如阿尔茨海默病。本发明还提供了制备这些化合物的前体。