(Z)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid | 85843-25-0

• 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: (Z)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
• CAS: 85843-25-0
• 化学式: C₁₁H₈F₃NO₃
• 分子量: 259.185
• InChiKey: BUHKBTGELFUBBX-WAYWQWQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  (Z)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid 在 硫酸 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 生成 1-(2-三氟甲基苯基)-吡咯-2,5-二酮
  参考文献：
  名称：

  摘要：

  Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2 ' -t-butylphenyl)maleimide (1), P2(1)/n, a = 10. 197(3) Angstrom, b = 11.904(4) Angstrom, c = 10.496(5) Angstrom, beta = 100.61(3)degrees; N-(2 ' -trifluoromethylphenyl)maleimide (2), P2(1)/c, a = 11.763(8) Angstrom, b = 10.699(9) Angstrom, c = 8.284(5) Angstrom, beta = 90.02(5)degrees; N-(2 ' ,6 ' -diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Angstrom, b = 8.552(3) Angstrom, c = 12.899(4) Angstrom, beta = 105.08(3)degrees; N-(2 ' ,6 ' -diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28146(10) Angstrom, b = 8.434(4) Angstrom, c = 12.881(4) Angstrom, 92.20(4)degrees; N-(2 ' -bromo-3 ' ,5 ' -bis(trifluoromethyl)phenyl) maleimide (5), P2(1)/n, a 8.7115(16) Angstrom, b = 16.125(3) Angstrom, c = 9.6707(19) Angstrom, beta = 99.757(15)degrees; N-(2 ' -phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Angstrom, b = 13,742(5) Angstrom, c = 11.147(4) Angstrom, beta = 92.25(3)degrees; N-(4 ' -methoxyphenyl)maleimide (7), P2(1)/n, a = 9.320(3) Angstrom, b = 6.621(2) Angstrom, c 16.059(6) Angstrom, beta = 99.58(3)degrees; N-(2 ' -trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12)Angstrom, b = 8.202(2)Angstrom, c = 12.720(4) Angstrom; and N-(2 ' -trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Angstrom, b = 22.191(9) Angstrom, c = 7.137(2) Angstrom, beta = 115.76(2)degrees are described. Molecules with bulky T-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.

  DOI：

  10.1023/a:1011345925270
• 作为产物：
  描述：

  马来酸酐 、 邻氨基三氟甲苯 以 乙醚 为溶剂， 生成 (Z)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
  参考文献：
  名称：

  摘要：

  Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2 ' -t-butylphenyl)maleimide (1), P2(1)/n, a = 10. 197(3) Angstrom, b = 11.904(4) Angstrom, c = 10.496(5) Angstrom, beta = 100.61(3)degrees; N-(2 ' -trifluoromethylphenyl)maleimide (2), P2(1)/c, a = 11.763(8) Angstrom, b = 10.699(9) Angstrom, c = 8.284(5) Angstrom, beta = 90.02(5)degrees; N-(2 ' ,6 ' -diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Angstrom, b = 8.552(3) Angstrom, c = 12.899(4) Angstrom, beta = 105.08(3)degrees; N-(2 ' ,6 ' -diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28146(10) Angstrom, b = 8.434(4) Angstrom, c = 12.881(4) Angstrom, 92.20(4)degrees; N-(2 ' -bromo-3 ' ,5 ' -bis(trifluoromethyl)phenyl) maleimide (5), P2(1)/n, a 8.7115(16) Angstrom, b = 16.125(3) Angstrom, c = 9.6707(19) Angstrom, beta = 99.757(15)degrees; N-(2 ' -phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Angstrom, b = 13,742(5) Angstrom, c = 11.147(4) Angstrom, beta = 92.25(3)degrees; N-(4 ' -methoxyphenyl)maleimide (7), P2(1)/n, a = 9.320(3) Angstrom, b = 6.621(2) Angstrom, c 16.059(6) Angstrom, beta = 99.58(3)degrees; N-(2 ' -trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12)Angstrom, b = 8.202(2)Angstrom, c = 12.720(4) Angstrom; and N-(2 ' -trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Angstrom, b = 22.191(9) Angstrom, c = 7.137(2) Angstrom, beta = 115.76(2)degrees are described. Molecules with bulky T-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.

  DOI：

  10.1023/a:1011345925270

文献信息

• [2+2]-Cycloaddition von Ketenen an �Maleinisoimide� und �berf�hrung der spiroverkn�pften ??-Laktame in Mucons�ure- und Tetrams�urederivate
  作者：Hans-Georg Capraro、Pierre Martin、Tammo Winkler

  DOI：10.1002/hlca.19830660132

  日期：1983.2.2

  [2+2]-Cycloaddition of ‘Maleic Isoimides’ with Ketenes and Reactions of Spiro-b̃-lactams to Muconic and Tetramic Acids

  [2 + 2]-顺丁烯二酮与马来酸的环加成反应及螺-β-内酰胺类化合物对粘康酸和四酸的反应
• AROMATIC MALEIMIDES AND THEIR USE AS PHOTOINITIATORS
  申请人：Albemarle Corporation

  公开号：EP0984931B1

  公开（公告）日：2005-02-09
• SALTS OF PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091958A1

  公开（公告）日：2001-04-18
• [EN] SALTS OF PAROXETINE<br/>[FR] SELS DE PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000001692A1

  公开（公告）日：2000-01-13

  Piperidine compounds, processes for preparing them, pharmaceutical compositions comprising them and their use in therapy are disclosed.
• ——
  作者：Christopher W. Miller、Charles E. Hoyle、Edward J. Valente、Jeffrey D. Zubkowski、E. Sonny Jönsson

  DOI：10.1023/a:1011345925270

  日期：——

  Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2 ' -t-butylphenyl)maleimide (1), P2(1)/n, a = 10. 197(3) Angstrom, b = 11.904(4) Angstrom, c = 10.496(5) Angstrom, beta = 100.61(3)degrees; N-(2 ' -trifluoromethylphenyl)maleimide (2), P2(1)/c, a = 11.763(8) Angstrom, b = 10.699(9) Angstrom, c = 8.284(5) Angstrom, beta = 90.02(5)degrees; N-(2 ' ,6 ' -diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Angstrom, b = 8.552(3) Angstrom, c = 12.899(4) Angstrom, beta = 105.08(3)degrees; N-(2 ' ,6 ' -diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28146(10) Angstrom, b = 8.434(4) Angstrom, c = 12.881(4) Angstrom, 92.20(4)degrees; N-(2 ' -bromo-3 ' ,5 ' -bis(trifluoromethyl)phenyl) maleimide (5), P2(1)/n, a 8.7115(16) Angstrom, b = 16.125(3) Angstrom, c = 9.6707(19) Angstrom, beta = 99.757(15)degrees; N-(2 ' -phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Angstrom, b = 13,742(5) Angstrom, c = 11.147(4) Angstrom, beta = 92.25(3)degrees; N-(4 ' -methoxyphenyl)maleimide (7), P2(1)/n, a = 9.320(3) Angstrom, b = 6.621(2) Angstrom, c 16.059(6) Angstrom, beta = 99.58(3)degrees; N-(2 ' -trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12)Angstrom, b = 8.202(2)Angstrom, c = 12.720(4) Angstrom; and N-(2 ' -trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Angstrom, b = 22.191(9) Angstrom, c = 7.137(2) Angstrom, beta = 115.76(2)degrees are described. Molecules with bulky T-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.