2-p-Tolyl-thiazolo<5,4-c>isochinolin-5(4H)-on | 58314-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-p-Tolyl-thiazolo<5,4-c>isochinolin-5(4H)-on
• 英文别名: 2-p-tolyl-4H-thiazolo[5,4-c]isoquinolin-5-one；2-(p-Tolyl)thiazolo[5,4-c]isoquinolin-5-(4H)-one；2-(4-methylphenyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
• CAS: 58314-87-7
• 化学式: C₁₇H₁₂N₂OS
• 分子量: 292.361
• InChiKey: AGZLFSWBWFNJSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-Phenyl-3-(4-phenyl-2-p-tolyl-thiazol-5-yl)-harnstoff 以75%的产率得到
  参考文献：
  名称：

  WINTERS G.; DI MOLA N., TETRAHEDRON LETT. , 1975, NO 44, 3877-3878

  摘要：

  DOI：

文献信息

• Fused isoquinoline derivatives
  申请人：Gruppo Lepetit S.p.A.

  公开号：US04113731A1

  公开（公告）日：1978-09-12

  Fused isoquinoline derivatives of the general formula ##STR1## wherein: A is a divalent radical selected from the groups ##STR2## wherein R.sub.3 and R.sub.4 each independently represents hydrogen, alkyl,, alkenyl, cycloalkyl, aryl, aralkyl, aralkenyl, cycloalkyl-alkyl or, taken together with the adjacent double bond, represent a cycloalkene containing from 5 to 8 carbon atoms or an aromatic nucleus; R.sub.5 represents hydrogen, hydroxyl, alkyl, alkenyl, cycloalkyl, aryl, aralkyl, aralkenyl or cycloalkyl-alkyl; Y is .dbd.O, .dbd.S or .dbd.NH; X is --O--, --S-- or --NR.sub.6 -- wherein R.sub.6 represents hydrogen, alkyl, cycloalkyl, aryl, aralkyl or cycloalkyl-alkyl; R.sub.1 and R.sub.2 each independently represents hydrogen, alkyl, phenyl, cycloalkyl, alkoxy, alkenyloxy, methylenedioxy, cycloalkoxy, halo or di-alkylamino or, taken together with the adjacent carbon atoms of the benzene ring, form a cycloalkenyl group containing 5 or 6 carbon atoms or an aromatic nucleus fused on the benzene ring. The compounds are essentially prepared through thermal cyclization of a compound of the formula ##STR3## wherein A, X, Y, R.sub.1 and R.sub.2 have the same meanings given before, with the proviso that R.sub.1 and R.sub.2 cannot simultaneously occupy both the ortho positions, B represents hydrogen, R represents an --OR.sub.7 or --NR.sub.8 R.sub.9 radical wherein R.sub.7 is alkyl, aryl or aralkyl and R.sub.8 and R.sub.9 each independently represents hydrogen, alkyl, aryl, aralkyl, or taken together with the adjacent nitrogen atom represent a heterocyclic saturated radical of 5 or 6 atoms which may contain a further hetero-atom selected from oxygen and nitrogen, or the symbols B and R taken together represent a further bond between the adjacent carbon and nitrogen atoms.

  通式为##STR1##的熔合异喹啉衍生物，其中：A是从以下组中选择的二价基团##STR2##其中R.sub.3和R.sub.4各自独立地表示氢、烷基、烯基、环烷基、芳基、芳基烷基、芳基烯基、环烷基-烷基或与相邻的双键一起表示含有5至8个碳原子的环烷烯或苯核；R.sub.5表示氢、羟基、烷基、烯基、环烷基、芳基、芳基烷基、芳基烯基或环烷基-烷基；Y是.dbd.O、.dbd.S或.dbd.NH；X是--O--、--S--或--NR.sub.6--，其中R.sub.6表示氢、烷基、环烷基、芳基、芳基烷基或环烷基-烷基；R.sub.1和R.sub.2各自独立地表示氢、烷基、苯基、环烷基、烷氧基、烯基氧基、亚甲二氧基、环烷氧基、卤素或二烷基氨基或与苯环相邻的碳原子一起形成含有5或6个碳原子的环烷烯基或熔合在苯环上的芳香核，但前提是R.sub.1和R.sub.2不能同时占据邻位，B表示氢，R表示--OR.sub.7或--NR.sub.8R.sub.9基团，其中R.sub.7是烷基、芳基或芳基烷基，R.sub.8和R.sub.9各自独立地表示氢、烷基、芳基、芳基烷基，或与相邻的氮原子一起表示含有5或6个原子的饱和杂环基团，该基团可以包含进一步从氧和氮中选择的杂原子，或B和R符号一起表示相邻碳原子和氮原子之间的进一步键。这些化合物基本上是通过化合物的热环化制备而成的，该化合物的通式为##STR3##其中A、X、Y、R.sub.1和R.sub.2具有之前给出的相同含义，但前提是R.sub.1和R.sub.2不能同时占据邻位，B表示氢，R表示--OR.sub.7或--NR.sub.8R.sub.9基团，其中R.sub.7是烷基、芳基或芳基烷基，R.sub.8和R.sub.9各自独立地表示氢、烷基、芳基、芳基烷基，或与相邻的氮原子一起表示含有5或6个原子的饱和杂环基团，该基团可以包含进一步从氧和氮中选择的杂原子，或符号B和R一起表示相邻碳原子和氮原子之间的进一步键。
• Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof
  申请人：GRUPPO LEPETIT S.P.A.

  公开号：EP0005745A1

  公开（公告）日：1979-12-12

  New tricyclic ortho-fused heterocyclic compounds of formula wherein A is the group R or the group N in which R represents hydrogen, (C1-4) alkyl, phenyl or tolyl and R, may be (C1-4) alkyl, phenyl or tolyl, R2 is selected from (C1-4) alkyl, (C2-4) alkanoylmethyl, carbo- (C1-3) alkoxymethyl, hydroxy (C2-4) alkyl, halo (C2.4) alkyl and a group wherein R3 is an alkylene group from 2 to 4 carbon atoms and R. and Rs independently represent hydrogen or (C1-4) alkyl or, taken together with the nitrogen atom, a fully hydrogenated 5 or 6 membered heterocyclic radical which may contain a further heteroatom selected from 0, N and S and be optionally substituted by a (C1-4) alkyl or phenyl group, or R2 may represent nil, the dotted lines x and y may represent nil or additional bonds; with the proviso that, when the symbol R2 linked to the oxygen atom is different from nil, x is an additional bond and y and the other symbol R2 represent nil; with the further proviso that. when the symbol R2 linked to the nitrogen atom is different from nil, y is an additional bond and x and the other symbol R2, represent nil; and salts therewith of pharmaceutically acceptable acids. The compounds possess antiinflammatory CNS-depressant and anti-anxiety utility.

  式中的新三环正交融合杂环化合物 其中 A 是基团 R 或基团 N 其中 R 代表氢、(C1-4)烷基、苯基或甲苯基，R 可以是(C1-4)烷基、苯基或甲苯基，R2 选自(C1-4)烷基、(C2-4)烷酰甲基、羧基(C1-3)烷氧基甲基、羟基(C2-4)烷基、卤代(C2.4)烷基和一个基团 其中 R3 是 2 至 4 个碳原子的亚烷基，R.和 Rs 独立地代表氢或 (C1-4) 烷基，或与氮原子一起代表完全氢化的 5 或 6 位杂环基，该杂环基可包含选自 0、N 和 S 的另一个杂原子，并可选择被 (C1-4) 烷基或苯基取代，或 R2 可代表无，虚线 x 和 y 可代表无或附加键；附带条件是，当与氧原子相连的符号 R2 不同于 "无 "时，x 代表附加键，y 和另一个符号 R2 代表 "无"；进一步的附带条件是。当与氮原子相连的符号 R2 与 "无 "不同时，y 是附加键，x 和另一个符号 R2 代表 "无"；以及药学上可接受的酸的盐。这些化合物具有抗炎、中枢神经系统抑制和抗焦虑的作用。
• US4113731A
  申请人：——

  公开号：US4113731A

  公开（公告）日：1978-09-12