Chloronitroaniline | 41587-36-4

• 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: Chloronitroaniline
• 英文别名: N-chloro-N-phenylnitramide
• CAS: 41587-36-4
• 化学式: C6H5ClN2O2
• 分子量: 172.57
• InChiKey: LHHIALSOMNPUOW-UHFFFAOYSA-N

物化性质

• 物理描述：
  Chloronitroanilines are yellowish to tan colored crystalline. The solvent may be flammable. They are insoluble in water. They are toxic by inhalation and ingestion. They are used to make dyes and pharmaceuticals.

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 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：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-4-硝基苯胺 、 Chloronitroaniline 、 sodium nitrite 、 尿素 、 ethyl 4-[(3-hydroxypropyl)phenylamino]butanoate 、 sodium acetate 在 ice 、 盐酸 、 乙酸乙酯 、 水 、 碳酸氢钠 、 Brine 、 Sodium sulfate-III 、 crude product 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 1.33h， 生成 ethyl 4-({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(3-hydroxypropyl)amino)-butanoate
  参考文献：
  名称：

  Fluorescent quenching detection reagents and methods

  摘要：

  寡核苷酸-荧光染料-猝灭剂共轭物，其中荧光染料基团的发射波长在约（300）到约（800）纳米之间，或者猝灭剂包括取代的4-（苯基偶氮基）苯胺结构，提供了在杂交和相关测定中改善的信号噪声比和其他有利特性。可以通过利用基于取代的4-（苯基偶氮基）苯胺结构的猝灭剂基团或者基于取代香豆素、取代7-羟基-3H-苯并噻吩-3-酮或取代5,10-二氢-10-[苯基]吡咯[2,3-d;6,5-d']二嘧啶-2,4,6,8-(1H,3H,7H,9H,10H)-四酮结构的新型磷酰胺酯试剂合成寡核苷酸-荧光染料-猝灭剂共轭物。包括吡咯并[4,5-e]吲哚-7-基（羰基）吡咯并[4,5-e]吲哚-7-基（羰基）吡咯并[4,5-e]吲哚-7-羧酸酯（DPI3）基团作为小沟结合剂和取代的4-（苯基偶氮基）苯胺基团作为猝灭剂的寡核苷酸-荧光染料-猝灭剂-小沟结合剂共轭物已合成，并具有显著改善的杂交和信号噪声比性能。

  公开号：

  US20040191796A1

文献信息

• [EN] BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS<br/>[FR] BENZOIMIDAZOLES COMME INHIBITEURS DE LA PROLYL HYDROXYLASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009134750A1

  公开（公告）日：2009-11-05

  The present invention is directed to benzoimidazole compounds of the formula (1) and enantiomers, diastereomers, racemates, and pharmaceutically acceptable salts thereof. Compounds of the present invention are useful in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions modulated by prolyl hydroxylase activity.

  本发明涉及公式（1）的苯并咪唑化合物及其对映体、二对映体、消旋体和药学上可接受的盐。本发明的化合物在制药组合物和治疗由脯氨酸羟化酶活性调节的疾病状态、紊乱和条件的方法中是有用的。
• [EN] SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE<br/>[FR] BENZOTRIAZINES ET QUINOXINALINES SUBSTITUÉES COMME INHIBITEURS DE LA P7OS6 KINASE
  申请人：SENTINEL ONCOLOGY LTD

  公开号：WO2010136755A1

  公开（公告）日：2010-12-02

  The invention provides compounds of the formula (1): or salts or tautomers thereof; wherein X1 is N or N+(O ); X2 is N or CH; Q is a C1-3 alkylene group; R1 is selected from hydrogen, C1-4 hydrocarbyl and hydroxy-C2-4 hydrocarbyl; R2, R3 and R4 are the same or different and each is selected from hydrogen, fluorine, chlorine and methyl; Ar1 is an optionally substituted monocyclic 5 or 6-membered aryl or heteroaryl ring containing 0, 1 or 2 heteroatom ring members selected from O, N and S, or a naphthyl ring and Ar2 is an optionally substituted monocyclic 5 or 6-membered heteroaryl ring containing 1, 2 or 3 heteroatom ring members selected from O, N and S. The compounds of formula (1) are inhibitors of p70S6 kinase and are useful in the treatment of proliferative diseases.

  该发明提供了式（1）的化合物或其盐或互变异构体；其中X1为N或N+（O-）；X2为N或CH；Q为C1-3烷基基团；R1从氢、C1-4烃基和羟基-C2-4烃基中选择；R2、R3和R4相同或不同，每个从氢、氟、氯和甲基中选择；Ar1为含有0、1或2个来自O、N和S的杂原子环成员的可选择取代的单环5或6成员芳基或杂芳基环，或者是一个萘环；Ar2为含有1、2或3个来自O、N和S的杂原子环成员的可选择取代的单环5或6成员杂芳基环。式（1）的化合物是p70S6激酶的抑制剂，可用于治疗增殖性疾病。
• [EN] MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER<br/>[FR] MODULATEURS DE LA P70S6 KINASE DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE TROUBLES CÉRÉBRAUX ET DU CANCER DU SEIN TRIPLE NÉGATIF
  申请人：SENTINEL ONCOLOGY LTD

  公开号：WO2016131776A1

  公开（公告）日：2016-08-25

  The invention provides compounds for use in the treatment of a disease or condition selected from brain disorders and triple-negative breast cancer, the compounds being of the formula (1) or a salt or tautomer thereof; wherein: X1 is N or N+(O'); X2 is N or CH; Q is selected from a C1-3 alkylene group, cyclopropane-1,1-diyl and cyclobutane- 1,1-diyl; R1 is selected from hydrogen and C1-4 alkyl;R2, R3 and R4 are the same or different and each is selected from hydrogen and fluorine; Ar1 is a benzene, thiophene, naphthyl or pyridine ring optionally substituted with 1, 2 or 3 substituents selected from fluorine; chlorine; bromine; CM hydrocarbyl; C1-4 hydrocarbyloxy; trifluoromethyl; difluoromethyl; cyano; trifluoromethoxy; difluoromethoxy; Ar2 is a monocyclic 5- or 6-membered heteroaryl ring containing 1, 2 or 3 heteroatom ring members selected from O, N and S and being optionally substituted with 1, 2 or 3 substituents selected from fluorine; C1-4 hydrocarbyl; amino; mono-C1-4 hydrocarbylamino and di-C1-4 hydrocarbylamino; and wherein, in each substituent consisting of or containing C1-4 hydrocarbyl, the C1-4 hydrocarbyl is selected from C1-4 alkyl, C2-4 alkenyl, C2-4 alkynyl, cyclopropyl, cyclobutyl and cyclopropylmethyl.

  该发明提供了用于治疗脑部疾病和三阴性乳腺癌等疾病或症状的化合物，该化合物为以下公式（1）或其盐或互变异构体；其中：X1为N或N+(O')；X2为N或CH；Q从C1-3烷基、环丙烷-1,1-二基和环丁烷-1,1-二基中选择；R1从氢和C1-4烷基中选择；R2、R3和R4相同或不同，每个从氢和氟中选择；Ar1为苯、噻吩、萘或吡啶环，可选择地取代1、2或3个从氟、氯、溴、CM烃基、C1-4烃基氧、三氟甲基、二氟甲基、氰、三氟甲氧基、二氟甲氧基中选择的取代基；Ar2为含有1、2或3个来自O、N和S的杂原子环成员的单环5-或6-成员杂环环，可选择地取代1、2或3个从氟、C1-4烃基、氨基、单C1-4烃基氨基和双C1-4烃基氨基中选择的取代基；在每个由或含有C1-4烃基的取代基中，C1-4烃基从C1-4烷基、C2-4烯基、C2-4炔基、环丙基、环丁基和环丙基甲基中选择。
• [EN] SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYPE QUINOXALINES ET BENZOTRIAZINE SUBSTITUÉES DE LA P70S6 KINASE
  申请人：SENTINEL ONCOLOGY LTD

  公开号：WO2016170163A1

  公开（公告）日：2016-10-27

  The invention provides compounds that inhibit or modulate the activity of p70S6 kinase, the compounds being of the formula (0), or a salt, tautomer or N-oxide thereof; wherein: X1 is N or N+(0-); X2 is N or CH; Q1 is an optionally substituted C1-8 alkylene; Q2 is a bond or an optionally substituted C1-8 alkylene group; R1 is selected from hydrogen and a group Cy1; Cy1 is an optionally substituted 4 to 7 membered monocyclic non-aromatic carbocyclic or heterocyclic group containing 0, 1 or 2 heteroatom ring members selected from O and S and oxidised forms of S; R2, R3 and R4 are the same or different and each is selected from hydrogen, fluorine, chlorine, C1-2 alkyl and C1-2 alkoxy, wherein each C1-2 alkyl and C1-2 alkoxy is optionally substituted with two or more fluorine atoms; Ar1 is an optionally substituted monocyclic 5 or 6-membered aryl or heteroaryl ring containing 0, 1 or 2 heteroatom ring members selected from O, N and S, or a naphthyl ring Ar2 is an optionally substituted bicyclic 8 to 1 1 -membered heteroaryl group containing 1, 2, 3 or 4 heteroatom ring members selected from O, N and S. The compounds are useful in medicine, for example in the treatment of a disease or condition selected from cancers (e.g. triple negative breast cancer, brain tumours and brain metastases arising from non-brain cancers), neurodevelopmental diseases (e.g. Fragile X syndrome) and neurodegenerative diseases.

  该发明提供了抑制或调节p70S6激酶活性的化合物，该化合物的结构如下式（0），或其盐、互变异构体或N-氧化物；其中：X1为N或N+(0-)；X2为N或CH；Q1为可选择取代的C1-8烷基；Q2为键或可选择取代的C1-8烷基基团；R1选自氢和Cy1基团；Cy1为可选择取代的含有0、1或2个来自O和S的杂原子环成员的4到7成员单环非芳香碳环或杂环基团及S的氧化形式；R2、R3和R4相同或不同，每个选自氢、氟、氯、C1-2烷基和C1-2烷氧基，其中每个C1-2烷基和C1-2烷氧基可选择地取代为两个或更多氟原子；Ar1为可选择取代的含有0、1或2个来自O、N和S的杂原子环成员的单环5或6成员芳基或杂芳基环，或一个萘环；Ar2为可选择取代的含有1、2、3或4个来自O、N和S的杂原子环成员的双环8到11成员杂芳基基团。这些化合物在医学上有用，例如在治疗癌症（如三阴性乳腺癌、脑肿瘤和来自非脑部癌症的脑转移瘤）、神经发育疾病（如脆性X综合征）和神经退行性疾病等疾病或病况的治疗中。
• Polymerizable composition, optical material comprising the composition and method for producing the material
  申请人：——

  公开号：US20040254258A1

  公开（公告）日：2004-12-16

  A cured matter obtained by polymerizing and curing a polymerizable composition comprising a compound having at least one episulfide in a molecule is reduced in an odor by adding a perfume to the polymerizable composition comprising the compound having at least one episulfide in a molecule. A cloudiness of the lens is removed by raising a purity of sulfur to 98% or more. A reduction in a chlorine content of the sulfur compound described above to 0.1% by weight or less elevates an oxidation resistance and a light fastness of the high refractive index optical material and improves a color tone thereof. An optical product having a high refractive index and a high-degree transparency is provided by subjecting the composition in advance to deaerating treatment at 0 to 100° C. for one minute to 24 hours under a reduced pressure of 0.001 to 50 torr.

  通过聚合和固化至少含有一种环硫醚的化合物的可聚合组合物获得的治愈物质，通过向至少含有一种环硫醚的化合物的可聚合组合物中添加香水来减少其气味。通过将硫的纯度提高到98％或更高，可以消除镜片的混浊。将上述硫化合物的氯含量降低至0.1％或更低可以提高高折射率光学材料的氧化抗性和耐光性，并改善其色调。通过在0至100°C下将组合物事先进行脱气处理，以在0.001至50 torr的减压下持续1分钟至24小时，可提供具有高折射率和高度透明度的光学产品。