S-(4'-acetyl<1,1'-biphenyl>-4-yl) N,N-dimethylcarbamate | 85763-19-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(4'-acetyl<1,1'-biphenyl>-4-yl) N,N-dimethylcarbamate
• 英文别名: S-[(4'-acetyl-1,1'-biphenyl)-4-yl]dimethylthiocarbamate；S-[4-(4-acetylphenyl)phenyl] N,N-dimethylcarbamothioate
• CAS: 85763-19-5
• 化学式: C₁₇H₁₇NO₂S
• 分子量: 299.393
• InChiKey: OBHKNPIFWSCPEX-UHFFFAOYSA-N

物化性质

• 沸点：
  449.2±47.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(4'-acetyl<1,1'-biphenyl>-4-yl) N,N-dimethylcarbamate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以49.4%的产率得到4-acetyl-4'-mercapto<1,1'-biphenyl>
  参考文献：
  名称：

  Inhibitors of glycolic acid oxidase. 4-Substituted-2,4-dioxobutanoic acid derivatives

  摘要：

  Fourteen new 4-substituted 2,4-dioxobutanoic acids have been synthesized. These compounds, all of which contain lipophilic 4-substituents, are potent inhibitors in vitro of porcine liver glycolic acid oxidase. The I50 value of the two most potent representatives, 4-(4'-bromo[1,1'-biphenyl]-4-yl)-2, 4-dioxobutanoic acid (8) and 4-[4'-[[(3,4-dihydro-3-hydroxy-2H-1, 5-benzodioxepin-3-yl)methyl]thio][1,1'-biphenyl]-4-yl]-2, 4-dioxobutanoic acid (13) is 6 X 10(-8)M.

  DOI：

  10.1021/jm00362a020
• 作为产物：
  描述：

  1-[4-(4-羟基苯基)苯基]乙酮 在 sodium hydride 作用下， 反应 2.0h， 生成 S-(4'-acetyl<1,1'-biphenyl>-4-yl) N,N-dimethylcarbamate
  参考文献：
  名称：

  Inhibitors of glycolic acid oxidase. 4-Substituted-2,4-dioxobutanoic acid derivatives

  摘要：

  Fourteen new 4-substituted 2,4-dioxobutanoic acids have been synthesized. These compounds, all of which contain lipophilic 4-substituents, are potent inhibitors in vitro of porcine liver glycolic acid oxidase. The I50 value of the two most potent representatives, 4-(4'-bromo[1,1'-biphenyl]-4-yl)-2, 4-dioxobutanoic acid (8) and 4-[4'-[[(3,4-dihydro-3-hydroxy-2H-1, 5-benzodioxepin-3-yl)methyl]thio][1,1'-biphenyl]-4-yl]-2, 4-dioxobutanoic acid (13) is 6 X 10(-8)M.

  DOI：

  10.1021/jm00362a020

文献信息

• 2,4-Dioxo-4-substituted-1-butanoic acid derivatives useful in treating
  申请人：Merck & Co., Inc.

  公开号：US04337258A1

  公开（公告）日：1982-06-29

  2,4-Dioxo-4-substituted-1-butanoic acid derivatives of the formula: ##STR1## where R is hydrogen or C.sub.1-4 alkyl; and L is a lipophilic group consisting essentially of (1) ##STR2## where R' is (a) hydrogen; (b) C.sub.1-3 alkyl; (c) benzyl; (d) pyridyl C.sub.1-3 alkyl; or (e) (3,4-dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl) methyl; provided that positions 2 and 6 of the substituted phenyl moiety may not be substituted; or (2) ##STR3## where R' has the same meaning as above; or a pharmaceutically acceptable salt thereof; useful in treating urinary tract, especially renal calcium oxalate lithiasis.

  2,4-二氧代-4-取代-1-丁酸衍生物，其通式为：##STR1##其中R为氢或C1-4烷基；L为亲脂性基团，主要由以下两种结构组成：(1) ##STR2##其中R'为(a)氢；(b) C1-3烷基；(c)苄基；(d)吡啶基C1-3烷基；或(e) (3,4-二氢-3-羟基-2H-1,5-苯并二氧杂环庚三烯-3-基)甲基；但取代苯基部分的2位和6位不得被取代；或(2) ##STR3##其中R'与上述含义相同；或其药学上可接受的盐；用于治疗泌尿系统疾病，尤其是肾钙性草酸钙结石。
• ROONEY, C. S.;WILLIAMS, H. W. R.;CRAGOE, E. J. ,, JR;PATCHETT, A. A.
  作者：ROONEY, C. S.、WILLIAMS, H. W. R.、CRAGOE, E. J. ,, JR、PATCHETT, A. A.

  DOI：——

  日期：——
• ROONEY, C. S.;WILLIAMS, H. W. R.;GRAGOE, E. J. ,, JR;PATCHETT, A. A.
  作者：ROONEY, C. S.、WILLIAMS, H. W. R.、GRAGOE, E. J. ,, JR、PATCHETT, A. A.

  DOI：——

  日期：——
• US4337258A
  申请人：——

  公开号：US4337258A

  公开（公告）日：1982-06-29
• US4423063A
  申请人：——

  公开号：US4423063A

  公开（公告）日：1983-12-27