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Benzoesaeure--anhydrid | 96878-42-1

中文名称
——
中文别名
——
英文名称
Benzoesaeure--anhydrid
英文别名
benzoic acid-(2-nitro-benzoic acid )-anhydride;Benzoesaeure-(2-nitro-benzoesaeure)-anhydrid;Benzoyl 2-nitrobenzoate;benzoyl 2-nitrobenzoate
Benzoesaeure-<o-nitro-benzoesaeure>-anhydrid化学式
CAS
96878-42-1
化学式
C14H9NO5
mdl
——
分子量
271.229
InChiKey
IVJXYUFXXFXLOC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    89.2
  • 氢给体数:
    0
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Sixteen years of old-field succession and reestablishment of a bottomland hardwood forest in the Lower Mississippi Alluvial Valley
    摘要:
    In the Lower Mississippi Alluvial Valley (LMAV), losses of bottomland hardwood forests have been severe, with less than 30% of the original 10 million ha remaining. Reforestation of abandoned farmland is occurring, but there has been little research on natural reestablishment of these forests. We examined understory succession and tree establishment patterns in a 3.2-ha field in northeast Louisiana, USA, abandoned in 1984. Relative elevation, strongly correlated with flooding depth and frequency, varied by approximately 1m. Ground-layer composition was monitored from 1985 to 1999 in twenty 1-m(2) quadrats stratified along the elevation gradient. In 2000, shrubs and tree saplings were mapped and their relative elevations determined. Ordination of the ground-layer data revealed that the major trends in species composition were related to time-since-abandonment and elevation. Annual species gradually declined, woody perennials became more abundant, and a shrub and young tree layer emerged from beneath the ground layer, but species composition in low and high elevation plots did not converge. Obligate species were more common at lower elevations, while facultative species were more common at upper elevations. By 16 years after abandonment, a total of 16 tree and shrub species had established in the field; eleven of these had potential local seed sources on levees adjacent to the study site. Abundance of dominant species was significantly related to elevation in most cases. In addition, distance to seed source influenced density and spatial distribution of Celtis laevigata and Fraxinus pennsylvanica. Our study suggests that rate and pattern of secondary succession in LMAV bottomlands are strongly influenced by elevation, dispersal mode of species, and the composition and proximity of forest remnants. Successful restoration of bottomland forests will require an improved understanding of these factors.
    DOI:
    10.1672/0277-5212(2002)022[0001:syoofs]2.0.co;2
  • 作为产物:
    描述:
    参考文献:
    名称:
    Sixteen years of old-field succession and reestablishment of a bottomland hardwood forest in the Lower Mississippi Alluvial Valley
    摘要:
    In the Lower Mississippi Alluvial Valley (LMAV), losses of bottomland hardwood forests have been severe, with less than 30% of the original 10 million ha remaining. Reforestation of abandoned farmland is occurring, but there has been little research on natural reestablishment of these forests. We examined understory succession and tree establishment patterns in a 3.2-ha field in northeast Louisiana, USA, abandoned in 1984. Relative elevation, strongly correlated with flooding depth and frequency, varied by approximately 1m. Ground-layer composition was monitored from 1985 to 1999 in twenty 1-m(2) quadrats stratified along the elevation gradient. In 2000, shrubs and tree saplings were mapped and their relative elevations determined. Ordination of the ground-layer data revealed that the major trends in species composition were related to time-since-abandonment and elevation. Annual species gradually declined, woody perennials became more abundant, and a shrub and young tree layer emerged from beneath the ground layer, but species composition in low and high elevation plots did not converge. Obligate species were more common at lower elevations, while facultative species were more common at upper elevations. By 16 years after abandonment, a total of 16 tree and shrub species had established in the field; eleven of these had potential local seed sources on levees adjacent to the study site. Abundance of dominant species was significantly related to elevation in most cases. In addition, distance to seed source influenced density and spatial distribution of Celtis laevigata and Fraxinus pennsylvanica. Our study suggests that rate and pattern of secondary succession in LMAV bottomlands are strongly influenced by elevation, dispersal mode of species, and the composition and proximity of forest remnants. Successful restoration of bottomland forests will require an improved understanding of these factors.
    DOI:
    10.1672/0277-5212(2002)022[0001:syoofs]2.0.co;2
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文献信息

  • [EN] ELECTRONIC TUNING OF SITE SELECTIVITY<br/>[FR] AJUSTEMENT ÉLECTRONIQUE DE SÉLECTIVITÉ DE SITE
    申请人:UNIV ILLINOIS
    公开号:WO2014059436A1
    公开(公告)日:2014-04-17
    Site-selective functionalization of Amphotericin B has been achieved by simply modifying the electronic nature of the reagents. A Hammett analysis is consistent with linking of this phenomenon to the Hammond postulate: electronic tuning to a more product- like transition state amplifies site-discriminating interactions between a reagent and its substrate. Electronic tuning of both an acylpyridinium donor and its carboxylate counterion further promoted site-divergent functionalization. A range of modifications to one of the many hydroxyl groups appended to the ion channel-forming natural product amphotericin B was achieved.
    Amphotericin B的位选择性官能化已通过简单修改试剂的电子性质实现。 Hammett分析与将这一现象与Hammond假设联系起来是一致的:对更类似产物的过渡态进行电子调谐会增强试剂与其底物之间的区位区分相互作用。对酰基吡啶阳离子供体及其羧酸盐反离子的电子调谐进一步促进了位分歧官能化。对形成离子通道的天然产物Amphotericin B之一的许多羟基基团的一系列修饰已实现。
  • ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF
    申请人:UBE INDUSTRIES, LTD.
    公开号:US20160244407A1
    公开(公告)日:2016-08-25
    An aryloyl(oxy or amino)pentafluorosulfanylbenzene compound having pharmacological action. The aryloyl(oxy or amino)pentafluorosulfanylbenzene compound is represented by general formula (A-I), a pharmaceutically acceptable salt thereof, and a prodrug thereof, wherein all of parameters represent the same meanings as defined in the specification.
    一种具有药理作用的芳基酰氧或氨基五氟磺基苯化合物。该芳基酰氧或氨基五氟磺基苯化合物由通用式(A-I)表示,其药用可接受的盐和前药,其中所有参数的含义与规范中定义的相同。
  • [EN] POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL<br/>[FR] POLYKETIDES DE POLYENE, LEURS PROCESSUS DE PRODUCTION ET LEUR UTILISATION EN TANT QUE PRODUIT PHARMACEUTIQUE
    申请人:ECOPIA BIOSCIENCES INC
    公开号:WO2004065401A1
    公开(公告)日:2004-08-05
    This invention relates to a new class of polyene polyketides, their pharmaceutically acceptable salts and derivatives, and to methods for obtaining the compounds. One method of obtaining these compounds is by cultivation of novel strains of Streptomyces aizunensis; another method involves expression of biosynthetic pathway genes in transformed host cells. The present invention further relates to the novel strains of Streptomyces aizunensis used to produce these compounds, to the use of these compounds and their pharmaceutically acceptable salts and derivatives as pharmaceuticals, in particular to their use as inhibitors of fungal cell growth and cancer cell growth. The invention also relates to pharmaceutical compositions comprising these novel polyketides or a pharmaceutically acceptable salts or derivatives thereof. Finally, the invention relates to novel polynucleotide sequences and their encoded proteins, which are involved in the biosynthesis of these novel polyketides.
    这项发明涉及一类新型聚烯烃聚酮类化合物,其药用盐和衍生物,以及获得这些化合物的方法。获得这些化合物的一种方法是通过培养新的链霉菌艾尊链霉菌菌株;另一种方法涉及在转化的宿主细胞中表达生物合成途径基因。本发明还涉及用于生产这些化合物的新型链霉菌艾尊链霉菌菌株,以及将这些化合物及其药用盐和衍生物作为药物的用途,特别是将它们用作真菌细胞生长和癌细胞生长的抑制剂。该发明还涉及包含这些新型聚酮类化合物或其药用盐或衍生物的药物组合物。最后,该发明涉及新型多核苷酸序列及其编码的蛋白质,这些蛋白质参与这些新型聚酮类化合物的生物合成。
  • New method for preparing tiotropium salts
    申请人:Lock Ralf
    公开号:US20060047120A1
    公开(公告)日:2006-03-02
    The invention relates to a new process for preparing tiotropium salts of general formula 1 wherein X − may have the meanings given in the claims and in the specification.
    该发明涉及一种制备一般式1中X−可能具有权利要求和说明书中所给出的意义的噻托溴铵盐的新工艺。
  • Novel daunomycin and adriamycin sulfono and sulfoxo
    申请人:ABI BIOTECHNOLOGY INC.
    公开号:EP0269339A2
    公开(公告)日:1988-06-01
    This invention provides novel compounds of the formula (I): including all stereoisomers thereof, and pharmaceutically ac­ceptable salts thereof, wherein, of A and B, one is C=O and the other is SY; R is hydrogen, hydroxy or methoxy; R₁ is hydrogen or hydroxy; R₂ is hydrogen or hydroxy; X is hydrogen, hydroxy or methoxy and Y is O or O₂; provided that R and X do not both stand for methoxy. These compounds show potent growth inhibition activity against P-388 leukemia cells and are thereofore potentially useful in the treatment of cancer.
    本发明提供了式(I)的新型化合物:包括其所有立体异构体及其药学上可接受的盐类,其中,A 和 B 中,一个是 C=O,另一个是 SY;R 是氢、羟基或甲氧基;R₁ 是氢或羟基;R₂ 是氢或羟基;X 是氢、羟基或甲氧基,Y 是 O 或 O₂;条件是 R 和 X 不同时代表甲氧基。 这些化合物对 P-388 白血病细胞显示出强效的生长抑制活性,因此可能用于治疗癌症。
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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫 龙胆紫 齐达帕胺 齐诺康唑 齐洛呋胺 齐墩果-12-烯[2,3-c][1,2,5]恶二唑-28-酸苯甲酯 齐培丙醇 齐咪苯 齐仑太尔 黑染料 黄酮,5-氨基-6-羟基-(5CI) 黄酮,6-氨基-3-羟基-(6CI) 黄蜡,合成物 黄草灵钾盐