2-bromo-3,4-bis(pivaloyloxy)-acetophenone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-3,4-bis(pivaloyloxy)-acetophenone
• 英文别名: [4-Acetyl-3-bromo-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
• 化学式: C₁₈H₂₃BrO₅
• 分子量: 399.282
• InChiKey: MGXVMYNPSHVBTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-3,4-bis(pivaloyloxy)-acetophenone 生成 [2-(2,2-Dimethylpropanoyloxy)-4-oxaldehydoylphenyl] 2,2-dimethylpropanoate
  参考文献：
  名称：

  GERAINT, J.

  摘要：

  DOI：
• 作为产物：
  描述：

  3',4'-bis(pivaloyloxy)acetophenone 生成 2-bromo-3,4-bis(pivaloyloxy)-acetophenone
  参考文献：
  名称：

  GERAINT, J.

  摘要：

  DOI：

文献信息

• 1-Phenyl-2-aminoethanol derivatives
  申请人：Imperial Chemical Industries Limited

  公开号：US04323575A1

  公开（公告）日：1982-04-06

  The invention concerns compounds of the formula:- R.sup.1.CH(OH).CH.sub.2 NH.CR.sup.2 R.sup.3.A.sup.1. NH.CO.CHR.sup.4.A.sup.2.NR.sup.5. Q I wherein R.sup.1 is 3,4-bis[(3-8C)alkanoyloxy]-phenyl, 3,5- bis [(3-8C)alkanoyloxy]phenyl, 3-[(3-8C)alkanoyloxy]methyl-4-[(3-8C)alkanoyloxy]phenyl, 4-[(3-8C)alkanoyloxy]phenyl, 2-chlorophenyl or 3,5-dichloro-4-aminophenyl; R.sup.2 and R.sup.3 are independently hydrogen or (1-4C) alkyl; A.sup.1 is (1-4C) alklylene; A.sup.2 is a direct bond or (1-4C) alkylene; R.sup.4 is hydrogen, (1-6C)alkyl, phenyl-(1-4C)alkyl or halogenophenyl-(1-4 C)alkyl; and R.sup.5 is (1-6C)alkyl; or R.sup.4 and R.sup.5 together form (2-5C) alkylene; and Q is (3-12C) alkanoyl, [(3-6C)alkoxy]carbonyl, phenylacetyl, phenoxyacetyl, benzoyl or benzyloxycarbonyl, the phenyl rings of which may optionally bear a substitutent selected from halogeno, (1-4C)alkyl, (1-4C)alkoxy and trifuloromethyl; and the pharmaceutically acceptable acid-addition salts thereof; processes for their manufacture; and pharmaceutical compositions thereof. The compounds of formula I are topical anti-inflammatory agents. A representative compound is 1-[3,4-bis (pivaloyloxy)phenyl]-2-2-[(N-phenylacetyl-proyly)amino]-1,1-dimethyl-ethy lamino}ethanol.

  该发明涉及以下化合物的公式：- R.sup.1.CH(OH).CH.sub.2 NH.CR.sup.2 R.sup.3.A.sup.1. NH.CO.CHR.sup.4.A.sup.2.NR.sup.5. Q I，其中R.sup.1是3,4-双[(3-8C)癸酰氧基]-苯基，3,5-双[(3-8C)癸酰氧基]苯基，3-[(3-8C)癸酰氧基]甲基-4-[(3-8C)癸酰氧基]苯基，4-[(3-8C)癸酰氧基]苯基，2-氯苯基或3,5-二氯-4-氨基苯基；R.sup.2和R.sup.3独立地是氢或(1-4C)烷基；A.sup.1是(1-4C)烷基；A.sup.2是直链键或(1-4C)烷基；R.sup.4是氢，(1-6C)烷基，苯基-(1-4C)烷基或卤代苯基-(1-4C)烷基；而R.sup.5是(1-6C)烷基；或者R.sup.4和R.sup.5共同形成(2-5C)烷基；Q是(3-12C)癸酰基，[(3-6C)癸氧基]羰基，苯乙酰基，苯氧乙酰基，苯甲酰基或苄氧羰基，其中苯环上可能选择携带卤素，(1-4C)烷基，(1-4C)癸氧基和三氟甲基等取代基；以及其药学上可接受的酸盐；制备它们的方法；以及其药物组合物。公式I的化合物是局部抗炎剂。代表性化合物是1-[3,4-双(季戊酰氧基)苯基]-2-2-[(N-苯乙酰基-丙基)氨基]-1,1-二甲基-乙基氨基}乙醇。
• 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0019411A1

  公开（公告）日：1980-11-26

  The invention concerns compounds of the formula:-R1.CH(OH).CH2NH. CR2R3. A1.NH. CO.CHR4.A2. NR5.Q I wherein R1 is 3,4-bis [(3-8C)alkanoyloxy] -phenyl, 3,5-bis[(3-8C)alkanoyloxy] phenyl, 3-[(3- 8C)alkanoyloxy]- methyl-4- [(3-8C)alkanoyloxy] phenyl, 4-[(3- 8C)alkanoyloxy] -phenyl, 2-chlorophenyl or 3,5-dichloro-4-aminophenyl; R2 and R are independently hydrogen or (1-4C)alkyl; A1 is (1-4C)alkylene; A2 is a direct bond or (1-4C)-alkylene; R4 is hydrogen, (1-6C)alkyl, phenyl-(1-4C)alkyl or halogenophenyl-(1-4C)alkyl; and R' is (1-6C) alkyl; or R4 and R5 together form (2-5C) alkylene; and Q is (3-12C)-alkanoyl, [(3- 6C)alkoxy]carbonyl, phenylacetyl, phenoxyacetyl, benzoyl or benzyloxycarbonyl, the phenyl rings of which may optionally bear a substituent selected from halogeno, (1-4C)alkyl, (1-4C)alkoxy and trifluoromethyl; and the pharmaceutically acceptable acid-addition salts thereof; processes for their manufacture; and pharmaceutical compositions thereof. The compounds of formula I are topical anti-inflammatory agents. A representative compound is 1-[3,4- bis(pivaloyloxy)phenyl] -2-2-[(N- phenylacetyl-prolyl) -amino]-1,1- dimethyl- ethylamino}ethanol.

  本发明涉及式如下的化合物：-R1.CH(OH).CH2NH.CR2R3.A1.NH。CO.CHR4.A2.NR5.其中 R1 是 3，4-双[(3-8C)烷酰氧基]-苯基、3，5-双[(3-8C)烷酰氧基]苯基、3-[(3-8C)烷酰氧基]-甲基-4-[(3-8C)烷酰氧基]苯基、4-[(3-8C)烷酰氧基]-苯基、2-氯苯基或 3，5-二氯-4-氨基苯基；R2 和 R 独立地为氢或 (1-4C) 烷基；A1 为 (1-4C) 亚烷基；A2 为直接键或 (1-4C) 亚烷基；R4 为氢、(1-6C) 烷基、苯基-(1-4C) 烷基或卤素苯基-(1-4C) 烷基；以及 R' 为 (1-6C) 烷基；或 R4 和 R5 共同形成 (2-5C) 亚烷基；以及 Q 是 (3-12C)-烷酰基、[(3-6C)烷氧基]羰基、苯乙酰基、苯氧基乙酰基、苯甲酰基或苄氧羰基，其苯基环可任选带有选自卤素、(1-4C)烷基、(1-4C)烷氧基和三氟甲基的取代基；及其药学上可接受的酸加成盐；其制造工艺；及其药物组合物。 式 I 的化合物是局部抗炎剂。具有代表性的化合物是 1-[3,4-双(新戊酰氧基)苯基] -2-2-[(N-苯乙酰基-脯氨酰)-氨基]-1,1-二甲基-乙基氨基}乙醇。
• GERAINT, J.
  作者：GERAINT, J.

  DOI：——

  日期：——
• US4323575A
  申请人：——

  公开号：US4323575A

  公开（公告）日：1982-04-06