5-硝基苯-1,3-二磺酰氯 | 61314-76-9

• 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: 5-硝基苯-1,3-二磺酰氯
• 英文名称: 5-nitro-benzene-1,3-disulfonyl chloride
• 英文别名: 5-Nitro-benzol-1,3-disulfonylchlorid；5-nitro-1,3-benzenedisulfonyl chloride；1.3-Di-chlorsulfonyl-5-nitro-benzol；5-Nitrobenzene-1,3-disulfonyl dichloride；5-nitrobenzene-1,3-disulfonyl chloride
• CAS: 61314-76-9
• 化学式: C₆H₃Cl₂NO₆S₂
• 分子量: 320.131
• InChiKey: MSSVDPARIZPFOM-UHFFFAOYSA-N

物化性质

• 熔点：
  94.5-95.5 °C
• 沸点：
  470.5±40.0 °C(Predicted)
• 密度：
  1.833±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 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：
  131
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-硝基苯-1,3-二磺酰氯 生成 5-nitro-1,3-benzenedisulfonic acid,di-(p-tert-butylphenyl)ester
  参考文献：
  名称：

  CONROW R. B.; BAUMAN N.; BROCKAMN J. A.; BERNSTEIN S., J. MED. CHEM., 1980, NO 3, 240-242

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-Bis(benzyloxycarbonyl)oxamide 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-硝基苯-1,3-二磺酰氯
  参考文献：
  名称：

  补体系统的合成调节剂。1.5,5'，5''-[1,3,6-萘三基三（磺酰亚胺）]-三[1,3-苯二磺酸]六钠盐的合成及生物活性。

  摘要：

  DOI：

  10.1021/jm00177a006

文献信息

• FLUOROSURFACTANTS
  申请人：Hierse Wolfgang

  公开号：US20090264525A1

  公开（公告）日：2009-10-22

  The present invention relates to fatty acid esters of polyols or sulfonated fatty acid esters or sulfonated fatty acid amides containing at least one group Y, where Y stands for CF 3 —(CH 2 ) a —O—, SF 5 —, CF 3 —(CH 2 ) a —S—, CF 3 CF 2 S—, [CF 3 —(CH 2 ) a ] 2 N— or [CF 3 —(CH 2 ) a ]NH—, where a stands for an integer selected from the range from 0 to 5, or formula (I), where Rf stands for CF 3 —(CH 2 ) r —, CF 3 —(CH 2 ) r —O—, CF 3 —(CH 2 ) r —S—, CF 3 CF 2 —S—, SF 5 —(CH 2 ) t — or [CF 3 —(CH 2 ) r ] 2 N—, [CF 3 —(CH 2 ) r ]NH— or (CF 3 ) 2 N—(CH 2 ) r —, B stands for a single bond, O, NH, NR, CH 2 , C(O)—O, C(O), S, CH 2 —O, O—C(O), N—C(O), C(O)—N, O—C(O)—N, N—C(O)—N, O—SO 2 or SO 2 —O, R stands for alkyl having 1 to 4 C atoms, b stands for 0 or 1 and c stands for 0 or 1, q stands for 0 or 1, where at least one radical from b and q stands for 1, and r stands for 0, 1, 2, 3, 4 or 5, to processes for the preparation of these compounds, and to uses of these surface-active compounds.

  本发明涉及聚醇或磺化脂肪酸酯或磺化脂肪酸酰所含有至少一个基团Y的化合物，其中Y代表CF3—(CH2)a—O—，SF5—，CF3—(CH2)a—S—，CF3CF2S—，[CF3—(CH2)a]2N—或[CF3—(CH2)a]NH—，其中a代表从0到5的整数范围内选择的整数，或者式(I)，其中Rf代表CF3—(CH2)r—，CF3—(CH2)r—O—，CF3—(CH2)r—S—，CF3CF2—S—，SF5—(CH2)t—或[CF3—(CH2)r]2N—，[CF3—(CH2)r]NH—或(CF3)2N—(CH2)r—，B代表单键，O，NH，NR，CH2，C(O)—O，C(O)，S，CH2—O，O—C(O)，N—C(O)，C(O)—N，O—C(O)—N，N—C(O)—N，O—SO2或SO2—O，R代表含有1至4个碳原子的烷基，b代表0或1，c代表0或1，q代表0或1，其中至少一个来自b和q的基团为1，r代表0、1、2、3、4或5，以及制备这些化合物的方法和这些表面活性化合物的用途。
• s-Phenenyltris(sulfonylimino)tri-benzene mono-and di-sulfonic acids and
  申请人：American Cyanamid Company

  公开号：US04208346A1

  公开（公告）日：1980-06-17

  s-Phenenyltris(sulfonylimino)tri-benzene mono-and di-sulfonic acids and their salts which are useful as complement inhibitors.

  s-苯基三(磺酰亚胺)三苯基单和双磺酸及其盐，可用作补体抑制剂。
• Halogenated-naphthalenetriyltris(sulfonylimino)-aryl disulfonic acids
  申请人：American Cyanamid Company

  公开号：US04265829A1

  公开（公告）日：1981-05-05

  Halogenated-naphthalenetriyltris(sulfonylimino)-aryl disulfonic acid and salts thereof useful as complement inhibitors.

  卤代萘三基三(磺酰亚胺)-芳基二磺酸及其盐，作为补体抑制剂有用。
• Fluorosurfactants
  申请人：Hierse Wolfgang

  公开号：US20100152081A1

  公开（公告）日：2010-06-17

  The invention relates to compounds comprising an aryl sulfonate group, a spacer and a Y group, wherein Y represents CF 3 —(CH 2 ) a —O—, SF 5 —, CF 3 —(CH 2 ) a —S—, CF 3 CF 2 S—, [CF 3 —(CH 2 ) a ] 2 N— or [CF 3 —(CH 2 ) a ]NH—, a represents a whole number selected from the range of 0 to 5 or (formula I), Rf represents CF 3 —(CH 2 ) r —, CF 3 —(CH 2 ) r —O—, CF 3 —(CH 2 ) r —S—, CF 3 CF 2 —S—, SF 5 —(CH 2 ) r — or [CF 3 —(CH 2 ) r ] 2 N—, [CF 3 —(CH 2 ) r ]NH— or (CF 3 ) 2 N—(CH 2 ) r —, B represents a simple bond, O, NH, NR, CH 2 , C(O)—O, C(O), S, CH 2 —O, O—C(O), N—C(O)1C(O)—N, O—C(O)—N, N—C(O)—N, O—SO 2 or SO 2 —O, R represents alkyl having 1 to 4 C-atoms, b represents 0 or 1 and c represents 0 or 1, q represents 0 or 1, at least one radical from b and q represents 1, and r represents 0, 1, 2, 3, 4 or 5. The invention also relates to a method for the production of said compounds and to the uses of said surface-active compounds.

  本发明涉及一种化合物，其包括苯基磺酸酯基、间隔基和Y基，其中Y代表CF3—(CH2)a—O—、SF5—、CF3—(CH2)a—S—、CF3CF2S—、[CF3—(CH2)a]2N—或[CF3—(CH2)a]NH—，a代表从0到5的整数或（公式I），Rf代表CF3—(CH2)r—、CF3—(CH2)r—O—、CF3—(CH2)r—S—、CF3CF2—S—、SF5—(CH2)r—或[CF3—(CH2)r]2N—、[CF3—(CH2)r]NH—或(CF3)2N—(CH2)r—，B代表简单键、O、NH、NR、CH2、C(O)—O、C(O)、S、CH2—O、O—C(O)、N—C(O)1C(O)—N、O—C(O)—N、N—C(O)—N、O—SO2或SO2—O，R代表具有1至4个碳原子的烷基，b代表0或1，c代表0或1，q代表0或1，b和q中至少有一个基团为1，r代表0、1、2、3、4或5。本发明还涉及一种制备该化合物的方法以及该表面活性化合物的用途。
• Symm. phenyltris(sulfonylimino)tri-benzene sulfonic acids and salts, a method of inhibiting the complement system in a body fluid with such a compound, a method for the preparation of such compounds and a pharmaceutical composition comprising such a compound
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0013079A1

  公开（公告）日：1980-07-09

  There are provided s-phenyltris (sulfonylimino) tri- benzene mono- and di-sulfonic acids and their salts which are useful as complement inhibitors. The novel compounds have the general formula: wherein each R is selected from the group consisting of hydrogen and alkali metal; each R1, R2 and R3 is selected from the group consisting of hydrogen and SO3A, wherein A is selected from the group consisting of hydrogen and a pharmaceutically acceptable salt cation; provided that at least one of the R1, R2 and R3 groups on each phenyl is SO3A; and further provided that when R2 is SO3A. R1 and R, may not be SO3A. E.g., these compounds may be prepared according to the following flowchart: wherein R' stands for These compounds find utility as complement inhibitors in body fluids and as such may be used to ameliorate or prevent those pathological reactions requiring the function of complement and in the therapeutic treatment of warm-blooded animals having immunologic diseases.

  本发明提供了可用作补体抑制剂的 s-苯基三（磺酰亚胺）三苯单磺酸和二磺酸及其盐。这些新型化合物具有通式： 其中每个 R 选自氢和碱金属组成的组；每个 R1、R2 和 R3 选自氢和 SO3A 组成的组，其中 A 选自氢和药学上可接受的阳离子盐组成的组；条件是每个苯基上的 R1、R2 和 R3 基团中至少有一个是 SO3A；进一步条件是当 R2 是 SO3A 时。R1和R可以不是SO3A。例如，这些化合物可按以下流程图制备： 其中 R' 代表 这些化合物可用作体液中的补体抑制剂，因此可用于改善或预防需要补体功能的病理反 应，以及对患有免疫疾病的温血动物进行治疗。