2-(氯甲基)-1-甲氧基-4-硝基苯 | 93-06-1

• 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-(氯甲基)-1-甲氧基-4-硝基苯
• 英文名称: 2-chloromethyl-4-nitroanisole
• 英文别名: 2-(chloromethyl)-1-methoxy-4-nitrobenzene；2-chloromethyl-1-methoxy-4-nitro-benzene；2-chloromethyl-4-nitro-anisole；2-Chlormethyl-4-nitro-anisol；Methyl-(4-nitro-2-chlormethyl-phenyl)-aether；α-Chlor-5-nitro-2-methoxy-toluol
• CAS: 93-06-1
• 化学式: C₈H₈ClNO₃
• mdl: MFCD06359953
• 分子量: 201.609
• InChiKey: SSYDSTKMOYVTMW-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 沸点：
  193-195 °C(Press: 16 Torr)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  2-(氯甲基)-1-甲氧基-4-硝基苯 在 silver(I) nitrite 、 乙醚 、 硫酸 、 硝酸 、 丙酮 、 sodium iodide 、 苯 作用下， 生成 2,4-dinitro-6-nitromethyl-anisole
  参考文献：
  名称：

  Bendz et al., Journal of the Chemical Society, 1950, p. 1130,1137

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-甲氧基-5-硝基苯基)甲醇 在 盐酸 作用下， 生成 2-(氯甲基)-1-甲氧基-4-硝基苯
  参考文献：
  名称：

  Jacobs; Heidelberger, Journal of Biological Chemistry, 1915, vol. 20, p. 674

  摘要：

  DOI：

文献信息

• A simple and inexpensive procedure for chloromethylation of certain aromatic compounds
  作者：Alexander McKillop、Fereidon Abbasi Madjdabadi、David A. Long

  DOI：10.1016/s0040-4039(00)81809-2

  日期：1983.1

  Reaction of a range of aromatic compounds with methoxyacetyl chloride and aluminium chloride in either nitromethane or carbon disulphide results in chloromethylation in good to excellent yield.

  一系列芳族化合物与甲氧基乙酰氯和氯化铝在硝基甲烷或二硫化碳中的反应导致氯甲基化，收率好至极佳。
• [EN] AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS<br/>[FR] COMPOSÉS ARYLE OU HÉTÉROARYLE À SUBSTITUTION AMINE UTILISÉS COMME INHIBITEURS DE EHMT1 ET EHMT2
  申请人：EPIZYME INC

  公开号：WO2017181177A1

  公开（公告）日：2017-10-19

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及氨基取代的芳基或杂芳基化合物。本公开还涉及包含这些化合物的药物组合物，以及通过向需要治疗的受试者施用本公开的氨基取代的芳基或杂芳基化合物或其药物组合物，来治疗疾病（例如，镰状细胞性贫血）的方法，该方法通过抑制从EHMT1和EHMT2选择的甲基转移酶酶。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a
  申请人：Sterling Drug Inc.

  公开号：US04146558A1

  公开（公告）日：1979-03-27

  Water-soluble cationic dyestuffs of the formulae ##STR1## WHEREIN R.sup.0 is hydrogen, lower-alkyl or hydroxy-lower-alkyl; R.sup.1 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.2 is lower-alkyl, lower-alkenyl, hydroxy-lower-alkyl or -(lower-alkylene)-NR.sup.0 Y or R.sup.1 and R.sup.2 together with the nitrogen atom, are pyrrolidino, piperidino or 4-lower-alkanoyl piperazino; Y is hydrogen or ##STR2## wherein R is hydrogen, lower-alkyl, lower-alkenyl, phenyl or phenyl-lower-alkyl; A is a member selected from the group consisting of an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge. K is a small integer whose value is dependent on the nature of A such that it has a range from one to two; R.sup.8 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.9 is lower-alkyl, hydroxy-lower-alkyl or NH.sub.2 ; R.sup.10 is lower-alkyl or lower-alkenyl; A.sup.1 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; G is a small integer whose value is dependent on the nature of A.sup.1 such that it has a range from one to two; R.sup.8 ' is lower-alkyl; R.sup.9 ' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.10 ' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl or R.sup.9 ' and R.sup.10 ' together with the nitrogen atom are morpholino; A.sup.2 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; h is a small integer whose value is dependent on the nature of A.sup.2 such that it has a range from one to two; and An is an anion are particularly useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials. These dyes dye cotton and paper various shades of stable yellows, reds and oranges. The dyeing from these dyes on paper are less prone to bleed and have a high degree of color discharge when bleached with hypochlorite or chlorine bleaches.

  水溶性阳离子染料的化学式为##STR1## 其中R.sup.0为氢、较低烷基或羟基较低烷基；R.sup.1为较低烷基、较低烯烃基或羟基较低烷基；R.sup.2为较低烷基、较低烯烃基、羟基较低烷基或-(较低烷基)-NR.sup.0 Y或R.sup.1和R.sup.2与氮原子一起，为吡咯烷基、哌啶基或4-较低酰基哌嗪基；Y为氢或##STR2## 其中R为氢、较低烷基、较低烯烃基、苯基或苯基较低烷基；A为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子。K是一个小整数，其值取决于A的性质，范围为一到二；R.sup.8为较低烷基、较低烯烃基或羟基较低烷基；R.sup.9为较低烷基、羟基较低烷基或NH.sub.2；R.sup.10为较低烷基或较低烯烃基；A.sup.1为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子；G是一个小整数，其值取决于A.sup.1的性质，范围为一到二；R.sup.8 '为较低烷基；R.sup.9 '为较低烷基、较低烯烃基或羟基较低烷基；R.sup.10 '为较低烷基、较低烯烃基或羟基较低烷基或R.sup.9 '和R.sup.10 '与氮原子一起为吗啉基；A.sup.2为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子；h是一个小整数，其值取决于A.sup.2的性质，范围为一到二；An为阴离子，特别适用于染色天然纤维、合成纤维形成材料和纤维素材料。这些染料可使棉花和纸张呈现各种稳定的黄色、红色和橙色。这些染料在纸张上的染色不易渗出，漂白时与次氯酸盐或氯漂白剂一起具有高度的色彩释放度。
• Amino-ether oxides and use thereof in therapy
  申请人：Societe Industrielle de Produits de Synthese

  公开号：US04301163A1

  公开（公告）日：1981-11-17

  Amino-ether oxides of formula: ##STR1## in which R.sub.1 is lower alkyl, R.sub.2 and R.sub.3 which are the same or different are hydrogen or lower alkyl, R.sub.4 is a phenyl or phenoxy nucleus optionally monosubstituted to trisubstituted by substituents which are the same or different, halogen or lower alkoxy, R.sub.5 is a phenyl radical optionally monosubstituted to trisubstituted by substituents which are the same or different, halogen, lower alkyl, lower alkoxy or nitro, a pyridyl radical or a lower alkyl radical, n is equal to zero, 1 or 2 and p is an integer from 0 to 9, m and q are equal to zero or 1. Local and spasmolytic anaesthetics.

  化学式为：##STR1##其中R.sub.1为较低的烷基，R.sub.2和R.sub.3相同或不同，为氢或较低的烷基，R.sub.4为苯或苯氧核，可选择性地通过相同或不同的取代基单取代至三取代基，卤素或较低的烷氧基，R.sub.5为苯基，可选择性地通过相同或不同的取代基单取代至三取代基，卤素、较低的烷基、较低的烷氧基或硝基，吡啶基或较低的烷基，n等于零、1或2，p为0到9的整数，m和q等于零或1。局部和解痉麻醉剂。
• Water-soluble quaternary ammonium heterocyclic azo dyestuffs
  申请人：Sterling Drug Inc.

  公开号：US03935182A1

  公开（公告）日：1976-01-27

  Water-soluble cationic dyestuffs of the formulae ##SPC1## Wherein R.sup.0 is hydrogen, lower-alkyl or hydroxy-lower-alkyl; R.sup.1 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.2 is lower-alkyl, lower-alkenyl, hydroxy-lower-alkyl or -(lower-alkylene)-NRO Y or R.sup.1 and R.sup.2 together with the nitrogen atom, are pyrrolidino, piperidino or 4-lower-alkanoyl piperazino; Y is hydrogen or ##EQU1## wherein R is hydrogen, lower-alkyl, lower-alkenyl, phenyl or phenyl-lower-alkyl; A is a member selected from the group consisting of an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge. k is a small integer whose value is dependent on the nature or A such that it has a range from one to two; R.sup.8 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.9 is lower-alkyl, hydroxy-lower-alkyl or NH.sub.2 ; R.sup.10 is lower-alkyl or lower-alkenyl; A.sup.1 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; g is a small integer whose value is dependent on the nature of A.sup.1 such that it has a range from one to two; R.sup.8.sup.' is lower-alkyl; R.sup.9.sup.' is lower-alkyl, lower alkenyl or hydroxy-lower-alkyl; R.sup.10.sup.' is lower-alkyl, lower -alkenyl or hydroxy-lower-alkyl or R.sup.9.sup.' and R.sup.10.sup.' together with the nitrogen atom are morpholino; A.sup.2 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; h is a small integer whose value is dependent on the nature of A.sup.2 such that it has a range from one to two; and An is an anion Are particularly useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials.

  具有以下公式的水溶性阳离子染料：##SPC1## 其中R.sup.0是氢，低烷基或羟基低烷基；R.sup.1是低烷基，低烯基或羟基低烷基；R.sup.2是低烷基，低烯基，羟基低烷基或-(低烷基)-NRO Y或R.sup.1和R.sup.2与氮原子一起，为吡咯烷基，哌嗪基或4-低烷酰基哌嗪基；Y是氢或##EQU1## 其中R是氢，低烷基，低烯基，苯基或苯基-低烷基；A是选自由芳香偶氮染料残基的一种，通过低烷基桥连接到季铵氮原子。k是小整数，其值取决于A的性质，范围从一到二；R.sup.8是低烷基，低烯基或羟基低烷基；R.sup.9是低烷基，羟基低烷基或NH.sub.2；R.sup.10是低烷基或低烯基；A.sup.1是通过低烷基桥连接到季铵氮原子上的芳香偶氮染料残基；g是小整数，其值取决于A.sup.1的性质，范围从一到二；R.sup.8.sup.'是低烷基；R.sup.9.sup.'是低烷基，低烯基或羟基低烷基；R.sup.10.sup.'是低烷基，低烯基或羟基低烷基或R.sup.9.sup.'和R.sup.10.sup.'与氮原子一起是吗啡基；A.sup.2是通过低烷基桥连接到季铵氮原子上的芳香偶氮染料残基；h是小整数，其值取决于A.sup.2的性质，范围从一到二；An是阴离子。这些染料特别适用于着色天然纤维，合成纤维成型材料和纤维素材料。