3,5-dinitrophthalic acid | 4277-02-5

• 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: 3,5-dinitrophthalic acid
• 英文别名: 3,5-dinitrophthalicacid；3,5-dinitro-phthalic acid；3,5-Dinitro-phthalsaeure
• CAS: 4277-02-5
• 化学式: C₈H₄N₂O₈
• 分子量: 256.128
• InChiKey: POYFAWOYINUXAW-UHFFFAOYSA-N

物化性质

• 熔点：
  225 °C
• 沸点：
  488.6±45.0 °C(Predicted)
• 密度：
  1.853±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 海关编码：
  2917399090

反应信息

• 作为反应物：
  描述：

  3,5-dinitrophthalic acid 在 三氯化铝 、 氨 、 乙酸酐 、 iron(II) sulfate 作用下， 生成 3,5-diamino-2-(2-hydroxy-4-methyl-benzoyl)-benzoic acid
  参考文献：
  名称：

  β-甲基邻氨基苯甲酸衍生物。三，米特隆。弗兰古拉-大黄素合成

  摘要：

  DOI：

  10.1002/hlca.192300601109
• 作为产物：
  描述：

  2,6-二硝基萘 在 硫酸 、 硝酸 作用下， 生成 3,5-dinitrophthalic acid
  参考文献：
  名称：

  11. 1：3：5：7-四硝基萘和由2：6-二硝基萘硝化制得的异构四硝基衍生物

  摘要：

  DOI：

  10.1039/jr9430000033

文献信息

• S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS
  申请人：Xavier University of Louisiana

  公开号：US20210323919A1

  公开（公告）日：2021-10-21

  The present disclosure relates to compounds that act as protein kinase inhibitors, especially RPS6K1 and the synthesis of the same. Further, the present disclosure teaches the utilization of such compounds in a treatment for proliferative diseases, including cancer, particularly breast cancer, and especially ER+ and/or HER2+ breast cancer, prostate cancer, lung cancer, and metastatic cancer.

  本公开涉及作为蛋白激酶抑制剂的化合物，特别是RPS6K1以及其合成。此外，本公开教导了利用这些化合物治疗增殖性疾病，包括癌症，特别是乳腺癌，尤其是ER+和/或HER2+乳腺癌，前列腺癌，肺癌和转移性癌症。
• 3,5-Disubstituted phthalic acid imides, phthalic acids and phthalic acid
  申请人：Ciba-Geigy Corporation

  公开号：US04363917A1

  公开（公告）日：1982-12-14

  Novel compounds of the formula I or II ##STR1## are described, in which M.sub.1 and M.sub.2 individually are --OH or together are --O--, R is hydrogen, C.sub.1-20 -alkyl, C.sub.2-5 -alkenyl, C.sub.3-5 -alkynyl, C.sub.5-12 -cycloalkyl, benzyl, phenyl or toluyl, X is --NO.sub.2, --OR', --SR' or --SO.sub.2 R' and the (R')s independently of one another are C.sub.1-20 -alkyl, C.sub.3-5 -alkenyl, C.sub.3-5 -alkynyl, C.sub.2-4 -monohydroxyalkyl, C.sub.1-12 -halogenoalkyl, benzyl, C.sub.5-12 -cycloalkyl, phenyl, carboxyphenyl, halogenophenyl, nitrophenyl, alkyl- or alkoxy-phenyl each having 1-4 C atoms in the alkyl or alkoxy moieties, or acetylaminophenyl. The compounds (I) and compounds (II) in which M.sub.1 and M.sub.2 together are --O-- are suitable as sensitizers for photocrosslinkable polymers or as initiators for the photopolymerization of ethylenically unsaturated compounds or for the photochemical crosslinking of polyolefins.

  描述了公式I或II的新化合物，其中M.sub.1和M.sub.2分别为--OH或者一起为--O--，R为氢，C.sub.1-20-烷基，C.sub.2-5-烯基，C.sub.3-5-炔基，C.sub.5-12-环烷基，苄基，苯基或甲苯基，X为--NO.sub.2，--OR'，--SR'或--SO.sub.2 R'，而(R')s独立地为C.sub.1-20-烷基，C.sub.3-5-烯基，C.sub.3-5-炔基，C.sub.2-4-单羟基烷基，C.sub.1-12-卤代烷基，苄基，C.sub.5-12-环烷基，苯基，羧基苯基，卤代苯基，硝基苯基，烷基或烷氧基苯基，其中烷基或烷氧基中每个有1-4个碳原子，或乙酰氨基苯基。其中M.sub.1和M.sub.2一起为--O--的化合物(I)和化合物(II)可用作光交联聚合物的感光剂，或用作乙烯不饱和化合物的光聚合引发剂，或用于聚烯烃的光化学交联。
• Thioxanthonecarboxylic acids and thioxanthonecarboxylic acid derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04385182A1

  公开（公告）日：1983-05-24

  Novel thioxanthonecarboxylic acids and thioxanthonecarboxylic acid derivatives of the formula I ##STR1## in which Y is --COOH, --CO-halogen, --CN or a carboxylic acid ester, thioester or amide group and X, Z and W are as defined in the patent claim, are described. The compounds of the formula I in which Y is other than --CO--halogen are suitable as sensitizers for photo-crosslinkable polymers or as initiators for photo-polymerization of ethylenically unsaturated compounds or for photo-chemical crosslinking of polyolefins. The acid halides of the formula I are starting materials for the preparation of the corresponding nitriles and carboxylic acid esters, thioesters and amides.

  新型噻吩羧酸和噻吩羧酸衍生物的化学式I ##STR1## 其中Y为--COOH，--CO-卤素，--CN或羧酸酯，硫酯或酰胺基团，而X、Z和W如专利要求中所定义。化学式I中Y不是--CO--卤素的化合物适用于作为光交联聚合物的增感剂，或作为乙烯不饱和化合物的光聚合引发剂，或用于聚烯烃的光化学交联。化学式I的酸卤是制备相应的腈和羧酸酯，硫酯和酰胺的起始材料。
• Aromatic Nucleophilic Substitution. Part 1. Regiospecific Substitution of the Nitro Groups in 3,5-Dinitrophthalic-Acid Derivatives
  作者：Walter Fischer、Vratislav Kvita

  DOI：10.1002/hlca.19850680405

  日期：1985.6.26

  The regioselectivity of nucleophilic substitution of the nitro groups in 3,5-dinitrophthalic anhydrides and 3,5-dinitrophthalimides (Scheme) with a variety of nucleophiles (Nu−) was studied. In all cases, the 3-nitro group was selectively substituted. With excess of the same nucleophilic reagent or with other nucleophiles, the 5-nitro group could subsequently be replaced.

  在硝基基团的亲核取代的3,5- dinitrophthalic酸酐和3,5- dinitrophthalimides（区域选择性方案）与各种亲核试剂的（女- ）进行了研究。在所有情况下，3-硝基均被选择性取代。在过量的相同亲核试剂或其他亲核试剂的情况下，随后可以取代5-硝基。
• Organic Analysis. XLIX. Color Reaction of 3, 4-, 4, 5-, or 3, 5-Dinitrophthalic Acid with Reducing Sugars.
  作者：Tsutomu Momose、Akira Inaba、Konosuke Inoue、Kazumoto Miyahara、Tae Mori

  DOI：10.1248/cpb.12.14

  日期：——

  3, 4-Dinitrophthalic acid gave a sensitive violet coloration with glucose when heated in aqueous sodium carbonate. In this color reaction, the acid was reduced to 3-nitro-4-hydroxylaminophthalic acid. 4, 5-Dinitrophthalic acid behaved in the same way as the 3, 4-isomer, and was reduced to 4-hydroxylamino-5-nitrophthalic acid. 3, 5-Dinitrophthalic acid was less sensitive in the reaction, showing a yellow coloration by its reduced substances down to 3-amino-5-nitrophthalic acid.

  当在碳酸钠水溶液中加热时，3, 4-二硝基邻苯二甲酸与葡萄糖产生敏感的紫色。在该显色反应中，酸被还原为 3-硝基-4-羟基氨基邻苯二甲酸。 4, 5-二硝基邻苯二甲酸的行为与3, 4-异构体相同，被还原为4-羟氨基-5-硝基邻苯二甲酸。 3, 5-二硝基邻苯二甲酸在反应中不太敏感，由于其还原物质降至3-氨基-5-硝基邻苯二甲酸而呈现黄色。