双(3-硝基苯基)碳酸酯 | 5676-72-2

• 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: 双(3-硝基苯基)碳酸酯
• 英文名称: carbonic acid bis-(3-nitro-phenyl ester)
• 英文别名: Bis-(3-nitro-phenyl)-carbonat；Kohlensaeure-bis-(3-nitro-phenylester)；bis(3-nitrophenyl)carbonate；Bis(3-nitrophenyl) carbonate
• CAS: 5676-72-2
• 化学式: C₁₃H₈N₂O₇
• 分子量: 304.216
• InChiKey: GDOLZIOIEBBPMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 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：
  127
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  双(3-硝基苯基)碳酸酯 在 一水合肼 作用下， 以 乙醚 为溶剂， 以82%的产率得到Hydrazinecarboxylic acid 3-nitro-phenyl ester
  参考文献：
  名称：

  Synthesis of Ring-Substituted Phenyl Hydrazinecarboxylates and Study of Their Protonation in Dimethyl Sulfoxide Solutions

  摘要：

  十九种苯基肼羧酸盐盐酸盐R-C6H4OCONHNH2·HCl（R = H，3-和4-Cl，3-和4-O2N，4-Me）及其1-甲基或2-甲基衍生物的pKa值通过在DMSO中与四丁基铵氢氧化物进行电位滴定确定。肼羧酸盐及其盐酸盐的红外光谱表明肼羧酸盐的质子化发生在N2处。苯基肼羧酸盐及其N-甲基衍生物的合成方法已经优化。

  DOI：

  10.1135/cccc19980793
• 作为产物：
  描述：

  间硝基苯酚 、 氯甲酸三氯甲酯 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 双(3-硝基苯基)碳酸酯
  参考文献：
  名称：

  Synthesis of Ring-Substituted Phenyl Hydrazinecarboxylates and Study of Their Protonation in Dimethyl Sulfoxide Solutions

  摘要：

  十九种苯基肼羧酸盐盐酸盐R-C6H4OCONHNH2·HCl（R = H，3-和4-Cl，3-和4-O2N，4-Me）及其1-甲基或2-甲基衍生物的pKa值通过在DMSO中与四丁基铵氢氧化物进行电位滴定确定。肼羧酸盐及其盐酸盐的红外光谱表明肼羧酸盐的质子化发生在N2处。苯基肼羧酸盐及其N-甲基衍生物的合成方法已经优化。

  DOI：

  10.1135/cccc19980793

文献信息

• Elongated and multiple spacers containing activatible prodrugs
  申请人：De Groot, Franciscus Marinus Hendrikus

  公开号：EP1243276A1

  公开（公告）日：2002-09-25

  This invention is directed to prodrugs that can be activated at the preferred site of action in order to selectively deliver the corresponding therapeutic parent drugs to target cells or to the target site. This invention will therefore primarily but not exclusively relate to tumor cells as target cells. More specifically the prodrugs are compounds of the formula V-(W)k-(X)l-A-Z, wherein: V is a specifier; W and X are each a 1, (4+2n) electronic cascade spacer, being the same or different; A is either a spacer group of formula (Y)m, wherein: Y is a 1, (4+2n) electronic cascade spacer, or a group of formula U being a cyclisation elimination spacer; Z is a therapeutic drug; k, l and m are integers from 0 to 5; n is an integer of 0 to 10, with the provisos that: when A is (Y)m: k+l+m > 1, and if k+l+m=1, then n > 1; when A is U: k+l > 1.

  本发明涉及一种前药，可以在首选作用部位被激活，以有选择性地将相应的治疗母药物送达目标细胞或目标部位。因此，本发明主要但不仅限于与肿瘤细胞作为靶细胞相关。更具体地说，所述前药是化合物V-(W)k-(X)l-A-Z，其中：V是一个指示符；W和X分别是1，（4+2n）电子级联间隔物，可以相同也可以不同；A是公式（Y）m的间隔基，其中：Y是1，（4+2n）电子级联间隔物，或者是公式U的基团，是一个环化消除间隔物；Z是治疗药物；k、l和m是0至5的整数；n是0至10的整数，但是必须满足以下条件：当A是（Y）m时：k+l+m>1，如果k+l+m=1，则n>1；当A是U时：k+l>1。
• [EN] ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS<br/>[FR] ESPACEURS ALLONGES ET MULTIPLES DE PRODROGUES ACTIVABLES
  申请人：DE GROOT FRANCISCUS MARINUS HE

  公开号：WO2002083180A1

  公开（公告）日：2002-10-24

  This invention is directed to prodrugs that can be activated at the preferred site of action in order to selectively deliver the corresponding therapeutic parent drugs to target cells or to the target site. This invention will therefore primarily but not exclusively relate to tumor cells as target cells. More specifically the prodrugs are compounds of the formula V-(W)k-(X)1-A-Z, wherein: V is a specifier; (W)k-(X)1-A is an elongated self-elimination spacer system; W and X are each a 1,(4+2n) electronic cascade spacer, being the same or different; A is either a spacer group of formula (Y)m wherein: Y is a 1,(4+2n) electronic cascade spacer, or a group of formula U being a cyclisation elimination spacer; Z is a therapeutic drug; k, 1 and m are integers from 0 (included) to 5 (included); n is an integer of 0 (included) to 10 (included), with the provisos that: - when A is (Y)m: k+1+m ≥ 1, and if k+1+m = 1; - when A is U: k+1 ≥ 1.

  本发明涉及一种前药，可以在首选作用部位激活，以有选择地将相应的治疗母药物传递到目标细胞或目标部位。因此，本发明主要但不仅限于将肿瘤细胞作为目标细胞。更具体地，前药是化合物V-(W)k-(X)1-A-Z，其中：V是说明符；(W)k-(X)1-A是一个延长的自我消除间隔系统；W和X分别是1，（4+2n）电子级联间隔器，相同或不同；A是公式（Y）m的间隔基团，其中：Y是1，（4+2n）电子级联间隔器，或者是公式U的基团，是环化消除间隔器；Z是治疗药物；k，1和m是从0（包括）到5（包括）的整数；n是0（包括）到10（包括）的整数，但前提是：当A为（Y）m时：k+1+m≥1，如果k+1+m=1；当A为U时：k+1≥1。
• Elongated and multiple spacers in activatible produgs
  申请人：——

  公开号：US20040121940A1

  公开（公告）日：2004-06-24

  This invention is directed to prodrugs that can be activated at the preferred site of action in order to selectively deliver the corresponding therapeutic parent drugs to target cells or to the target site. This invention will therefore primarily but not exclusively relate to tumor cells as target cells. More specifically the prodrugs are compounds of the formula V—(W)k-(X)l-A-Z, wherein: V is a specifier; (W)k-(X)l-A is an elongated self-elimination spacer system; W and X are each a l,(4+2n) electronic cascade spacer, being the same or different; A is either a spacer group of formula (Y) m wherein: Y is a l,(4+2n) electronic cascade spacer, or a group of formula U being a cyclisation elimination spacer; Z is a therapeutic drug; k, l and m are integers from 0 (included) to 5 (included); n is an integer of 0 (included) to 10 (included), with the provisos that:—when A is (Y)m: k+l+m 1, and if k+l+m=1;—when A is U: k+l 1.

  本发明涉及一种前药，可以在优选的作用部位被激活，以有选择地将相应的治疗原药物递送到靶细胞或靶部位。因此，本发明主要但不仅限于与肿瘤细胞作为靶细胞相关。更具体地说，前药是公式V—(W)k-(X)l-A-Z的化合物，其中：V是说明符；(W)k-(X)l-A是一个延长的自我消除间隔系统；W和X分别是l，（4+2n）电子级联间隔器，可以相同也可以不同；A是公式（Y）m的间隔基，其中：Y是l，（4+2n）电子级联间隔器，或者是公式U的基团，是一个环化消除间隔器；Z是治疗药物；k、l和m是从0（包括）到5（包括）的整数；n是0（包括）到10（包括）的整数，但限制条件是：当A是（Y）m时：k+l+m≥1，如果k+l+m=1；当A是U时：k+l≥1。
• PROCESS FOR PRODUCING ARYL CARBAMATES
  申请人：UBE INDUSTRIES LIMITED

  公开号：EP0902014A1

  公开（公告）日：1999-03-17

  A process for producing an aryl carbamate of a high purity at a high yield by reacting a diaryl carbonate with an amine compound having one or more hydrogen atoms bonded to the N position in the presence of carboxylic acid(s) of the following general formulae (I): R1-COOH and/or (II): R2-COOH (wherein R1 represents an alkyl or cycloalkyl group having a carbon atom at the α-position, which is bonded to only one hydrogen atom, and R2 represents an alkyl group having a carbon atom at the α-position, which is not bonded to a hydrogen atom).

  一种高纯度、高收率的氨基甲酸芳基酯的生产工艺，该工艺是在下列通式(I)的羧酸存在下，使碳酸二芳基酯与一个或多个氢原子键合在 N 位上的胺化合物反应：R1-COOH 和/或 (II)：R2-COOH（其中 R1 代表烷基或环烷基，在 α 位有一个碳原子，只与一个氢原子键合；R2 代表烷基，在 α 位有一个碳原子，不与氢原子键合）。
• Synthesis of polynucleotides
  申请人：Agilent Technologies, Inc.

  公开号：EP1792909A1

  公开（公告）日：2007-06-06

  Nucleotide monomers, polynucleotides, methods of making each, and methods of deprotecting each, are disclosed.

  本文公开了核苷酸单体、多核苷酸、每种核苷酸的制造方法以及每种核苷酸的脱保护方法。