6-硝基-1,3-苯并二恶茂-5-醇 | 7107-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 6-硝基-1,3-苯并二恶茂-5-醇
• 英文名称: 4-hydroxy-5-nitro-1,2,methylenedioxybenzene
• 英文别名: 6-nitrobenzo[1,3]dioxol-5-ol；5-hydroxy-6-nitro-benzo-1,3-dioxol；4,5-methylenedioxy-2-nitrophenol；6-nitro-benzo[1,3]dioxol-5-ol；4-hydroxy-5-nitro-1,2,-methylenedioxybenzene；3,4-methylenedioxy 6-nitrophenol；6-Nitro-1,3-benzodioxol-5-ol
• CAS: 7107-10-0
• 化学式: C₇H₅NO₅
• mdl: MFCD07658174
• 分子量: 183.12
• InChiKey: BYOPSCVORPQJID-UHFFFAOYSA-N

物化性质

• 熔点：
  95-96℃
• 沸点：
  311℃
• 密度：
  1.651
• 闪点：
  142℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-硝基-1,3-苯并二恶茂-5-醇 生成 N-[ethoxy-[(6-nitro-1,3-benzodioxol-5-yl)oxy]phosphinothioyl]butan-2-amine
  参考文献：
  名称：

  KOSAKA, XIDEHO;SASAKI, MITSURU

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-苯并二氧戊环-5-基乙酸酯 在 硫酸 、 硝酸 、 溶剂黄146 作用下， 反应 4.0h， 生成 6-硝基-1,3-苯并二恶茂-5-醇
  参考文献：
  名称：

  首批双重AK /GSK-3β抑制剂具有抗氧化特性，可作为多功能，潜在的神经保护剂

  摘要：

  该手稿涉及新型作为多功能神经保护剂的基于苯并嗪酮和吲哚的化合物的设计，合成和生物学评估。这些化合物抑制人类腺苷激酶（ħ AK）和人糖原合酶激酶3β（ħ GSK-3β）的酶。基于分子对接方法的计算分析强调了同时靶向两种蛋白质的变构位点的潜在结构要求。电脑提示暗示了适当修饰的苯并恶嗪酮和吲哚（5a-s和6a-c）的合成，生化分析显示它们作为h的变构抑制剂的行为GSK-3β。对于我们的第4个命中化合物和该系列的最佳化合物（5c，l和6b），通过评估所选化合物对H的保护作用，评估了其在人类神经母细胞瘤细胞系（IMR 32，未分化和神经元分化）中的潜在抗氧化剂谱2 O 2的细胞毒性和活性氧（ROS）的产生。结果表明，即使在较低剂量下，被测化合物也具有强大的功效，可抵消诱导的氧化应激（50μMH 2 O 2）并防止ROS的形成。此外，在分析的浓度范围（0.1至50μM）下，受试化合物没有显示出通过LD

  DOI：

  10.1016/j.ejmech.2017.06.017

文献信息

• Synthesis and Biological Activities of New 2-Substituted 1,4-Benzoxazine Derivatives.
  作者：Masahiro KAJINO、Yumiko SHIBOUTA、Kohei NISHIKAWA、Kanji MEGURO

  DOI：10.1248/cpb.39.2896

  日期：——

  A series of new 1, 4-benzoxazine derivatives (XI, XII) possessing (4-phenyl-1-piperazinyl)alkyl moieties at the 2-position and related compounds (XIII) were synthesized and tested for calcium antagonistic, calmodulin antagonistic and antihypertensive activities. Various compounds had in vitro calmodulin antagonistic activity superior or comparable to that of trifluoperazine. Among these compounds, tetrahydronaphtho[2, 3-b][1, 4]oxazine derivatives such as 51, 53, 54, 58, 59, 60, 73 and 75 showed potent antihypertensive effects in spontaneously hypertensive rats. Optical isomers of 51 were also synthesized and evaluated biologically. No differences in biological activities were seen between the enantiomers.

  一系列新的1,4-苯并恶嗪衍生物（XI，XII）在2位具有（4-苯基-1-哌嗪基）烷基部分及相关化合物（XIII）被合成并测试了钙拮抗、钙调素拮抗和降压活性。多种化合物在体外表现出优于或相当于三氟拉嗪的钙调素拮抗活性。其中，四氢萘并[2,3-b][1,4]恶嗪衍生物如51、53、54、58、59、60、73和75在自发性高血压大鼠中显示出强大的降压效果。51的光学异构体也被合成并进行了生物学评估。这些光学异构体之间在生物活性上没有差异。
• 1,4-benzoxazine derivatives and pharmaceutical use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04789675A1

  公开（公告）日：1988-12-06

  1,4-Benzoxazine derivatives representable by the general formula; ##STR1## wherein R.sup.1 and R.sup.2 independently stand for hydrogen, halogen atom, nitro group, an optionally substituted lower alkyl group, an optionally substituted amino group, an optionally substituted hydroxyl group, a lower alkoxycarbonyl group, or when R.sup.1 and R.sup.2 are adjacent to each other, R.sup.1 and R.sup.2 combinedly stand for a ring representable by --CH.sub.2).sub.m (wherein m denotes an integer of 3 to 5) or --O--CH.sub.2).sub.n O-- (wherein n denotes an integer of 1 to 3), R.sup.3 stands for hydrogen or a lower alkyl group, R.sup.4 and R.sup.5 independently stand for hydrogen, halogen atom, an optionally substituted lower alkyl group or an optionally substituted hydroxyl group, and A stands for an alkylene group or acid addition salts thereof, are useful as prophylactic or therapeutic drugs for, among others, hypertension or ischemic dieases.

  1,4-苯并噁嗪衍生物可由以下一般式表示；其中R.sup.1和R.sup.2分别代表氢、卤原子、硝基、可选择取代的较低烷基、可选择取代的氨基、可选择取代的羟基、较低烷氧羰基、或当R.sup.1和R.sup.2相邻时，R.sup.1和R.sup.2联合代表一个可由--CH.sub.2).sub.m（其中m表示3至5的整数）或--O--CH.sub.2).sub.n O--（其中n表示1至3的整数）表示的环，R.sup.3代表氢或较低烷基，R.sup.4和R.sup.5分别代表氢、卤原子、可选择取代的较低烷基或可选择取代的羟基，A代表烷基或其酸盐，可用作预防或治疗高血压或缺血性疾病等药物。
• Dyeing compositions for keratinous fibres, especially for human hair,
  申请人：L'Oreal

  公开号：US04865617A1

  公开（公告）日：1989-09-12

  The invention relates to a dyeing composition for keratinous fibres containing, in a cosmetically acceptable solvent medium, at least one para-type oxidation dye precursor in combination with at least one heterocyclic coupler of formula: ##STR1## in which R denotes a hydrogen atom, a C.sub.1 -C.sub.4 radical, a C.sub.2 -C.sub.4 hydroxyalkyl radical, a C.sub.3 to C.sub.6 polyhydroxyalkyl radical, or a C.sub.2 -C.sub.6 alkoxyalkyl radical, Z, independently of R, denotes a C.sub.1 to C.sub.4 alkyl radical, a C.sub.2 to C.sub.4 hydroxyalkyl radical, a C.sub.3 to C.sub.6 polyhydroxyalkyl radical, a C.sub.2 -C.sub.6 alkoxyalkyl radical or a trifluoroethyl radical, R.sub.1 and R.sub.2 independently of each other denote a hydrogen atom or a C.sub.1 to C.sub.4 alkyl radical, or one of the addition salts of the compound of formula (I) with an inorganic acid, a process for the oxidation dyeing of hair using this composition as well as the new couplers of formula (I) where Z is other than methyl when R.sub.1, R.sub.2 and R=H, the process for their preparation, the new intermediate compounds of formula: ##STR2## and the process for their preparation.

  本发明涉及一种染色组合物，用于角蛋白纤维，包含至少一种对位氧化染料前体和至少一种杂环偶联剂的组合物，其中所述杂环偶联剂的化学式为：##STR1## 其中R表示氢原子，C.sub.1-C.sub.4基团，C.sub.2-C.sub.4羟基烷基基团，C.sub.3到C.sub.6多羟基烷基基团或C.sub.2-C.sub.6烷氧基烷基基团，Z独立于R，表示C.sub.1到C.sub.4烷基基团，C.sub.2到C.sub.4羟基烷基基团，C.sub.3到C.sub.6多羟基烷基基团，C.sub.2-C.sub.6烷氧基烷基基团或三氟乙基基团，R.sub.1和R.sub.2彼此独立地表示氢原子或C.sub.1到C.sub.4烷基基团，或化合物的配合物，该化合物为式(I)的过程，以及使用该组合物进行氧化染发的过程，以及其中Z不是甲基时的新偶联剂的化学式(I)，其制备过程，式为：##STR2## 以及其制备过程。
• NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE
  申请人：Parthasarathy Sampath

  公开号：US20100035849A1

  公开（公告）日：2010-02-11

  The present invention provides novel methylenedioxy phenolic compounds and their derivatives, methods of making them and methods of using them to treat or prevent cardiovascular disease, vascular disease and/or inflammatory disease, as well as Type I and Type II Diabetes and Dyslipidemia patients at risk for hypertension, stroke, cardiovascular and renal disease.

  本发明提供了新型亚甲二氧苯酚化合物及其衍生物，制备它们的方法以及利用它们治疗或预防心血管疾病、血管疾病和/或炎症性疾病的方法，以及治疗 1 型和 2 型糖尿病和血脂异常患者，这些患者有高血压、中风、心血管和肾脏疾病的风险。
• Phosphoramidothionates
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04522942A1

  公开（公告）日：1985-06-11

  A compound of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group, a lower cycloalkyl group, a lower cycloalkyl(lower)alkyl group, a halo(lower)alkyl group, a lower alkoxy(lower)alkyl group, a di(lower)alkoxy(lower)alkyl group, a cyano(lower)alkyl group, a lower alkylthio(lower)alkyl group, a lower alkynylthio(lower)alkyl group, a lower dioxothiacycloalkyl group, a lower thiacycloalkyl group, a lower oxacycloalkyl group, a lower oxacycloalkyl(lower)alkyl group or a thienyl(lower)alkyl group, R.sub.2 is a lower alkyl group and R.sub.3 is a 3,5-dimethoxyphenyl group, a 3,4-methylenedioxyphenyl group or a 4,5-methylenedixoy-2-nitrophenyl group, which is useful as a fungicide.

  一种化合物的公式为：##STR1## 其中R.sub.1是氢原子，较低的烷基，较低的烯基，较低的炔基，较低的环烷基，较低的环烷基（较低）烷基，卤素（较低）烷基，较低的烷氧（较低）烷基，二（较低）烷氧（较低）烷基，氰基（较低）烷基，较低的烷硫（较低）烷基，较低的炔硫（较低）烷基，较低的二氧硫杂环烷基，较低的硫杂环烷基，较低的氧杂环烷基，较低的氧杂环烷基（较低）烷基或噻吩（较低）烷基，R.sub.2是较低的烷基，R.sub.3是3,5-二甲氧基苯基，3,4-亚甲二氧基苯基或4,5-亚甲二氧基-2-硝基苯基，用作杀真菌剂。