hexanoyloxymethyl 4-nitrophenyl carbonate | 101623-72-7

• 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: hexanoyloxymethyl 4-nitrophenyl carbonate
• 英文别名: hexanoyloxymethyl p-nitrophenyl carbonate；(4-nitrophenoxy)carbonyloxymethyl hexanoate
• CAS: 101623-72-7
• 化学式: C₁₄H₁₇NO₇
• 分子量: 311.291
• InChiKey: INSOCLAQJMTMEO-UHFFFAOYSA-N

物化性质

• 沸点：
  436.1±45.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  hexanoyloxymethyl 4-nitrophenyl carbonate 、 {2-chloro-4-[(2-aminophenyl)amino]phenyl}(2-methylphenyl)methanone 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 72.0h， 生成 1-(hexanoyloxy)methyl N-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]-carbamate
  参考文献：
  名称：

  AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA

  摘要：

  公开号：

  EP1202959B1
• 作为产物：
  描述：

  碘甲基4-硝基苯基碳酸酯 、 己酸 在 silver hexanoate 碳酸氢钠 、 水 、 Sodium sulfate-III 作用下， 以 苯 为溶剂， 反应 2.0h， 以to furnish hexanoyloxymethyl p-nitrophenyl carbonate as a light yellow liquid (0.28 g)的产率得到hexanoyloxymethyl 4-nitrophenyl carbonate
  参考文献：
  名称：

  Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives

  摘要：

  本发明涉及一种新的一步法制备新型N-（酰氧烷氧基）羰基衍生物，其可用作具有主要或次要胺基的药物的生物可逆前药基团。

  公开号：

  US04916230A1

文献信息

• Aminobenzophenones as inhibitors of IL-1β and TNF-α
  申请人：Ottosen Erik Rytter

  公开号：US06897236B1

  公开（公告）日：2005-05-24

  The present invention relates to compounds of formula (I) wherein R 1 , R 2 and R 3 independently represent one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, carbamoyl, or phenyl; R 1 and R 2 further represented by nitro and R 3 by carboxy; R 4 represents hydrogen, (C 1 -C 3 )alkyl, or allyl; Q represents a bond, or —C(R 6 )(R 7 )(—O—C═O)—, in which formula R 6 and R 7 independently represent hydrogen, trifluoromethyl, or (C 1 -C 4 )alkyl; Y represents either (C 5 -C 15 )alkyl, (C 2 -C 15 )olefinic group, (C 3 -C 10 )monocyclic hydrocarbon, or phenyl, any of which may be optionally substituted with one or more, same or different substituents represented by the formula R 5 ; or (C 1 -C 4 )alkyl substituted with at least one or more substituents with the formula R 5 ; or Y represents a group of formula —CH 2 —(Z—O) n —Z where Z is a (C 1 -C 3 )alkyl, where n is a integer>1 and no continuous linear sequence of atoms in the group Y>15; R 5 represents halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, azido, nitro, —COOH, —CONH 2 , —CONHR′, or —COONR′R′ wherein R′ stands for (C 1 -C 3 )alkyl; X represents oxygen or sulphur, or a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof. The compounds are valuable in the human and veterinary therapy.

  本发明涉及公式（I）的化合物，其中R1，R2和R3独立地表示氢，卤素，羟基，巯基，三氟甲基，氨基，（C1-C3）烷基，（C2-C3）烯基，（C1-C3）烷氧基，（C1-C3）烷硫基，（C1-C6）烷基氨基，（C1-C3）烷氧羰基，氰基，氨基甲酰基或苯基等一种或多种相同或不同的取代基；其中R1和R2还表示硝基，R3表示羧基；R4表示氢，（C1-C3）烷基或烯丙基；Q表示键或—C（R6）（R7）（—O—C═O）—，其中R6和R7独立地表示氢，三氟甲基或（C1-C4）烷基；Y表示（C5-C15）烷基，（C2-C15）烯基，（C3-C10）单环烃或苯基，其中任何一种都可以选择地用由公式R5表示的一个或多个相同或不同的取代基进行取代；或者是至少一个或多个由公式R5表示的取代基被取代的（C1-C4）烷基；或Y表示公式—CH2—（Z—O）n—Z的一个基团，其中Z是（C1-C3）烷基，n是大于1的整数，并且该基团Y中的原子没有连续的线性序列>15；R5表示卤素，羟基，巯基，三氟甲基，氨基，（C1-C3）烷氧基，（C1-C3）烷硫基，（C1-C6）烷基氨基，（C1-C3）烷氧羰基，氰基，偶氮基，硝基，—COOH，—CONH2，—CONHR′或—COONR′R′，其中R'代表（C1-C3）烷基；X表示氧或硫，或其药学上可接受的盐，或其水合物或溶剂化物。这些化合物在人类和兽医治疗中具有价值。
• A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs
  申请人：Merck & Co., Inc.

  公开号：EP0167451A2

  公开（公告）日：1986-01-08

  This invention relates to a new one-step process for preparation of novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for drugs having a primary or secondary amine function thereon.

  本发明涉及一种一步法制备新型 N-（酰氧基-烷氧基）羰基衍生物的新工艺，该衍生物可用作具有伯胺或仲胺功能的药物的生物可逆原药分子。
• US4916230A
  申请人：——

  公开号：US4916230A

  公开（公告）日：1990-04-10
• US6897236B1
  申请人：——

  公开号：US6897236B1

  公开（公告）日：2005-05-24
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF IL-1 beta AND TNF- alpha<br/>[FR] AMINOBENZOPHENONES EN TANT QU'INHIBITEURS DE IL-1 beta ET TNF- alpha
  申请人：LEO PHARM PROD LTD

  公开号：WO2001005749A1

  公开（公告）日：2001-01-25

  The present invention relates to compounds of formula (I) wherein R1, R2 and R3 independently represent one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, (C1-C3)alkyl, (C2-C3)olefinic group, (C1-C3)alkoxy, (C1-C3)alkylthio, (C1-C6)alkylamino, (C1-C3)alkoxycarbonyl, cyano, carbamoyl, or phenyl; R1 and R2 further represented by nitro and R3 by carboxy; R4 represents hydrogen, (C1-C3)alkyl, or allyl; Q represents a bond, or -C(R6)(R7)(-O-C=O)-, in which formula R6 and R7 independently represent hydrogen, trifluoromethyl, or (C1-C4)alkyl; Y represents either (C5-C15)alkyl, (C2-C15)olefinic group, (C3-C10)monocyclic hydrocarbon, or phenyl, any of which may be optionally substituted with one or more, same or different substituents represented by the formula R5; or (C1-C4)alkyl substituted with at least one or more substituents with the formula R5; or Y represents a group of formula -CH2-(Z-O)n-Z where Z is a (C1-C3)alkyl, where n is a integer > 1 and no continuous linear sequence of atoms in the group Y > 15; R5 represents halogen, hydroxy, mercapto, trifluoromethyl, amino, (C1-C3)alkoxy, (C1-C3)alkylthio, (C1-C6)alkylamino, (C1-C3)alkoxycarbonyl, cyano, azido, nitro, -COOH, -CONH2, -CONHR', or -COONR'R' wherein R' stands for (C1-C3)alkyl; X represents oxygen or sulphur, or a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof. The compounds are valuable in the human and veterinary therapy.