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3-isobutylphthalic acid

中文名称
——
中文别名
——
英文名称
3-isobutylphthalic acid
英文别名
monoisobutylphthalic acid;3-(2-methylpropyl)phthalic acid
3-isobutylphthalic acid化学式
CAS
——
化学式
C12H14O4
mdl
——
分子量
222.241
InChiKey
WXVFMRKUWGIPRB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    16
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    74.6
  • 氢给体数:
    2
  • 氢受体数:
    4

上下游信息

反应信息

点击查看最新优质反应信息

文献信息

  • Pharmaceutical dopamine glycoconjugate compositions and methods of their preparation and use
    申请人:christian T. Samuel
    公开号:US20050250739A1
    公开(公告)日:2005-11-10
    Hydrophilic transportable N-linked glycosyl dopaminergic prodrug compounds according to FORMULA V and methods of their use, wherein, Ring 1 comprises an aryl or heteroaryl ring having 4 to 8 carbon atoms, among which atoms are counted “X” and “Y”; each of X and Y is optional; X, when present is either —C(R 1 ) 2 — or —C(R 1 ) 2 —; Y, when present, is either —CH 2 — or —CH 2 —CH 2 —; z, R 5 and R 5′ . are optional, and when present z, R 5 and R 5′ together form a lower alkyl or a substituted lower alkyl moiety; N is part of either an amine or an amide linkage; E is a saccharide which forms a linkage with N through a single bond from a carbon or oxygen atom thereof; R 1 and R 4 are selected form the group consisting of hydrogen, hydroxyl, halogen, halo-lower alkyl, alkoxyl, alkoxyl-lower alkyl, halo-alkoxy, thioamido, amidosulfonyl, alkoxylcarbonyl, carboxamide, aminocarbonyl, and alkylamino-carbonyl; R 2 and R 3 are hydroxyl; R 5 and R 6 , when present, are selected from the group consisting of hydrogen, hydroxyl, alkoxyl, carbonyl, alkoxylcarbonyl, aminocarbonyl, alkylamino-carbonyl and dialkylamino-carbonyl; and, R 6 and R 6′ are selected from the group consisting of hydrogen, hydroxyl, alkoxyl, carboxyl, alkoxylcarbonyl, aminocarbonyl, alkylamino-carbonyl and dialylamino-carbonyl, with the proviso that Ring 1 is capable of binding to any of: a dopaminergic receptor selected from the group consisting of a D1 receptor and a D5 receptor; a DAT transporter; a VMAT transporter; and, with the proviso that E is capable of binding to a GLUT transporter selected from the group consisting of a GLUT1 receptor and a GLUT3 receptor.
    根据FORMULA V,亲性可运输的N-连接糖基的多巴胺前药化合物及其使用方法,其中,环1包括一个芳基或杂环芳基环,其中含有4至8个碳原子,其中原子被计为“X”和“Y”;X和Y各自是可选的;当存在X时,它是- C(R1)2-或-C(R1)2-;当存在Y时,它是-CH2-或- - -;z,R5和R5'是可选的,当存在z,R5和R5'时,它们共同形成较低的烷基或取代较低的烷基基团;N是基或酰胺连接的一部分;E是一个糖类,通过其碳或氧原子之一的单键与N形成连接;R1和R4从选组中选择,包括氢,羟基,卤素,卤代较低烷基,烷氧基,烷氧基较低烷基,卤代烷氧基,酰胺基,基磺酰基,烷氧羰基,羧酰胺,基羰基和烷基基羰基;R2和R3是羟基;当存在时,R5和R6从选组中选择,包括氢,羟基,烷氧基,羰基,烷氧基羰基,基羰基,烷基基羰基和二烷基基羰基;而R6和R6'从选组中选择,包括氢,羟基,烷氧基,羧基,烷氧基羰基,基羰基,烷基基羰基和二烷基基羰基,但前提是环1能够与以下任何一个结合:从选组中选择的多巴胺能感受器,包括D1受体和D5受体;DAT转运体;VMAT转运体;前提是E能够与以下从选组中选择的GLUT转运体结合:GLUT1受体和GLUT3受体。
  • PHARMACEUTICAL DOPAMINE GLYCOCONJUGATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE
    申请人:Christian Samuel T.
    公开号:US20080194802A1
    公开(公告)日:2008-08-14
    Hydrophilic transportable N-linked glycosyl dopaminergic prodrug compounds according to FORMULA V and methods of their use, wherein, Ring 1 comprises an aryl or heteroaryl ring having 4 to 8 carbon atoms, among which atoms are counted “X” and “Y”; each of X and Y is optional; X, when present is either —C(R 1 ) 2 — or —C(R) 2 —; Y, when present, is either —CH 2 — or —CH 2 —CH 2 —; z, R 5 and R 5′ are optional, and when present z, R 5 and R 5′ together form a lower alkyl or a substituted lower alkyl moiety; N is part of either an amine or an amide linkage; E is a saccharide which forms a linkage with N through a single bond from a carbon or oxygen atom thereof; R 1 and R 4 are selected form the group consisting of hydrogen, hydroxyl, halogen, halo-lower alkyl, alkoxyl, alkoxyl-lower alkyl, halo-alkoxy, thioamido, amidosulfonyl, alkoxylcarbonyl, carboxamide, aminocarbonyl, and alkylamino-carbonyl; R 2 and R 3 are hydroxyl; R 5 and R 6 , when present, are selected from the group consisting of hydrogen, hydroxyl, alkoxyl, carbonyl, alkoxylcarbonyl, aminocarbonyl, alkylamino-carbonyl and dialkylamino-carbonyl; and, R 6 and R 6′ are selected from the group consisting of hydrogen, hydroxyl, alkoxyl, carboxyl, alkoxylcarbonyl, aminocarbonyl, alkylamino-carbonyl and dialylamino-carbonyl, with the proviso that Ring 1 is capable of binding to any of: a dopaminergic receptor selected from the group consisting of a D1 receptor and a D5 receptor; a DAT transporter; a VMAT transporter; and, with the proviso that E is capable of binding to a GLUT transporter selected from the group consisting of a GLUT1 receptor and a GLUT3 receptor.
    根据公式V及其使用方法,亲和性可转运的N-连接糖基多巴胺前药化合物,其中,环1包括4至8个碳原子的芳基或杂芳基环,其中原子计算为“X”和“Y”;X和Y各自是可选的;当存在X时,它是—C(R1)2—或—C(R)2—;当存在Y时,它是—CH2—或— — —;z,R5和R5'是可选的,当存在时,z,R5和R5'共同形成较低的烷基或取代较低的烷基基团;N是胺或酰胺连接的一部分;E是一种糖,通过其碳或氧原子中的单键与N形成连接;R1和R4从氢、羟基、卤素、卤素较低烷基、烷氧基、烷氧基较低烷基、卤素烷氧基、酰胺、基磺酰、烷氧基羰基、羧酰胺、基羰基和烷基基羰基中选择;R2和R3是羟基;当存在R5和R6时,它们从氢、羟基、烷氧基、羰基、烷氧基羰基、基羰基、烷基基羰基和二烷基基羰基中选择;R6和R6'从氢、羟基、烷氧基、羧基、烷氧基羰基、基羰基、烷基基羰基和二烷基基羰基中选择,但环1能够与以下任意一种结合:D1受体和D5受体中选择的多巴胺能受体;DAT转运体;VMAT转运体;并且,E能够与GLUT1受体和GLUT3受体中选择的GLUT转运体结合。
  • Reactive polymer-supporting porous film for battery seperator and use thereof
    申请人:Uetani Yoshihiro
    公开号:US20060257727A1
    公开(公告)日:2006-11-16
    The invention provides a reactive polymer-supporting porous film for use as a battery separator which comprises a porous substrate film and a partially crosslinked reactive polymer supported on the porous substrate film, the partially crosslinked reactive polymer being obtained by the reaction of a crosslinkable polymer having at least one reactive group selected from the group consisting of 3-oxetanyl group and epoxy group in the molecule with a polycarboxylic acid. The reactive polymer-supporting porous film for use as a battery separator has a separator and electrodes sufficiently bonded to each other and low inner resistance so that it is suitably used for production of battery excellent in high rate performance. Further, the invention provides a method of producing a battery which comprises placing the electrode/reactive polymer-supporting porous film layered body in a battery container; introducing an electrolytic solution containing a cationic polymerization catalyst into the battery container thereby bonding the porous film and the electrodes together.
    本发明提供一种反应性聚合物支持多孔膜,用于作为电池隔膜,包括多孔基底膜和部分交联的反应性聚合物支持在多孔基底膜上,所述部分交联的反应性聚合物是通过交联性聚合物与多羧酸反应而得到的,所述交联性聚合物在分子中至少具有3-氧杂环基团和环氧基团中的一种反应性基团。作为电池隔膜使用的反应性聚合物支持多孔膜,具有足够紧密结合的隔膜和电极以及低内阻,因此适用于生产高速性能优异的电池。此外,本发明还提供一种电池的制造方法,其中包括将电极/反应性聚合物支持多孔膜层状体放置在电池容器中;向电池容器中引入含有阳离子聚合催化剂的电解液,从而将多孔膜和电极粘合在一起。
  • Intermediate film of laminated safety glass with antiglare function and novel neodymium compound
    申请人:Hopnic Laboratory Co., Ltd.
    公开号:US07790290B2
    公开(公告)日:2010-09-07
    The present invention provides an intermediate film for use in laminated glass, comprising a resin composition containing polyvinyl butyral, a plasticizer and a neodymium compound having compatibility in both the plasticizer and a plasticized resin, where the neodymium compound is a neodymium salt of a polyvalent ester of a dicarboxylic or polycarboxylic acid wherein one carboxyl group is not esterified. The intermediate film is useful in producing a laminated glass.
    本发明提供了一种用于层压玻璃的中间膜,包括含有聚醋酸乙烯酯、增塑剂化合物的树脂组合物,其中化合物在增塑剂和增塑树脂中具有相容性,所述化合物是一种多价酯类羧酸或多羧酸盐,其中一个羧基未酯化。该中间膜可用于制造层压玻璃
  • REACTIVE POLYMER-SUPPORTING POROUS FILM FOR BATTERY SEPARATOR AND USE THEREOF
    申请人:Uetani Yoshihiro
    公开号:US20110232081A1
    公开(公告)日:2011-09-29
    A reactive polymer-supporting porous film is provided as a battery separator which comprises a porous substrate film and a partially crosslinked reactive polymer supported on the porous substrate film. The partially crosslinked reactive polymer is obtained by the reaction of a crosslinkable polymer having at least one group selected from the 3-oxetanyl group and epoxy group reactive with a polycarboxylic acid. The reactive polymer-supporting porous film has a separator and electrodes sufficiently bonded to each other and with low inner resistance suitably used for production of battery excellent in high rate performance. Further, provided is a method of producing a battery which comprises placing the electrode/reactive polymer-supporting porous film layered body in a battery container; introducing an electrolytic solution containing a cationic polymerization catalyst into the battery container thereby bonding the porous film and electrodes together.
    提供一种反应性聚合物支撑多孔膜作为电池隔膜,包括一个多孔基底膜和部分交联的反应性聚合物支撑在多孔基底膜上。部分交联的反应性聚合物是通过交联聚合物与至少具有3-氧杂环基团和环氧基团之一的可反应羧酸反应而得到的。反应性聚合物支撑多孔膜具有足够粘结的隔膜和电极,内阻低,适用于生产高速性能优异的电池。此外,还提供了一种制造电池的方法,包括将电极/反应性聚合物支撑多孔膜层状体放置在电池容器中;向电池容器中引入含有阳离子聚合催化剂的电解质溶液,从而将多孔膜和电极粘结在一起。
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