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2,2-dimethyl-propionic acid 4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylmethyl ester | 59870-59-6

中文名称
——
中文别名
——
英文名称
2,2-dimethyl-propionic acid 4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylmethyl ester
英文别名
1,2-diphenyl-4-butyl-4-pivalyloxymethyl-3,5-pyrazolidinedione;1,2-Diphenyl-4-butyl-4-pivalyloxymethyl-3,5-pyrazolidindion;(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2,2-dimethylpropanoate
2,2-dimethyl-propionic acid 4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylmethyl ester化学式
CAS
59870-59-6
化学式
C25H30N2O4
mdl
——
分子量
422.524
InChiKey
HOJPJJZZUCNPNJ-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

物化性质

  • 沸点:
    507.7±42.0 °C(Predicted)
  • 密度:
    1.147±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    5.6
  • 重原子数:
    31
  • 可旋转键数:
    9
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    66.9
  • 氢给体数:
    0
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    potassium carbonate保泰松特戊酸氯甲酯乙醚 、 silica gel 、 heptane-ether 、 heptane-petroleum ether 作用下, 以 丙酮 为溶剂, 反应 32.0h, 以to give 0.63 g (mp 116°-117° C., 5% yield) of 1,2-diphenyl-4-butyl-4-pivalyloxymethyl-3,5-pyrazolidinedione的产率得到2,2-dimethyl-propionic acid 4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylmethyl ester
    参考文献:
    名称:
    Certain transient pro-drug forms of phenylbutazone
    摘要:
    本文披露了苯丁酸和氧苯丁酸的短暂、前药型形式,它们是1,2-二苯基-4-丁基-5-氧基-4-吡唑酮衍生物。这些化合物在温血动物中表现出抗炎活性。在给温血动物施用后,这些化合物通过胃肠道,并在血液中“断裂”,因此在其治疗部位或活性部位释放苯丁酸或氧苯丁酸,以抗炎有效量。
    公开号:
    US03957803A1
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文献信息

  • Novel transient pro-drug forms of phenylbutazone and oxyphenbutazone in
    申请人:INTERx Research Corporation
    公开号:US04169147A1
    公开(公告)日:1979-09-25
    There is provided, novel, transient, pro-drug forms of phenylbutazone and oxyphenbutazone having the following formula: ##STR1## wherein R represents a member selected from the group consisting of a C.sub.1 -C.sub.2 O-alkylsulfonyl group, an aryl(phenyl, p-tolyl, naphthyl)sulfonyl group, a nicotinoyl group, an iso-nicotinoyl group, a picolinoyl group, an N-protected naturally occurring amino acid residue, wherein the protective group on the amino group of the amino acid residue is removable via hydrogenolysis or hydrolysis, and an amino acid residue containing a C.sub.1 -C.sub.2 N,N-dialkylamino or a C.sub.4 -C.sub.6 cycloalkylamino group. ##STR2## wherein X and Y each represent a member selected from the group consisting of a hydrogen atom and a --OR.sub.1 group, with the proviso that either X or Y is a hydrogen atom and that R.sub.2 is a member selected from the same or different groups represented by R.sub.1 ; and wherein R.sub.1 represents a member selected from the group consisting of a hydrogen atom, a C.sub.1 -C.sub.2 O-alkylsulfonyl group, an aryl(phenyl, p-tolyl, naphthyl)sulfonyl group, a --CH.sub.2 COOM group, wherein M represents an alkali or alkaline earth metal (Na, K, Ca, Mg), a --CO-R.sub.3 group, wherein R.sub.3 represents a member selected from the group consisting of a straight or branched C.sub.1 -C.sub.5 alkyl group, a C.sub.1 -C.sub.2 alkoxy group, a phenyl group, a substituted phenyl group, whose substituents are selected from the group consisting of a 2,3, or 4-hydroxy group, a 2,3, or 4-acetyloxy group, and a 2,3, or 4-acetylamino group, a 2,3, or 4-pyridyl group, a 1,2, or 5-imidazolyl group, a residue of an N-protected naturally occurring amino acid, wherein the protective group on the amino group of the amino acid is removable via hydrogenolysis or hydrolysis, and an amino acid residue containing a C.sub.1 -C.sub.2 N, N-dialkylamino or C.sub.4 -C.sub.5 cycloalkylamino group. ##STR3## wherein X or Y represents a member selected from the group consisting of a hydrogen atom and a -OR.sub.1 group, wherein R.sub.1 is as defined above with the proviso that either X or Y is a hydrogen atom, wherein R.sub.4 represents a member selected from the group consisting of a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group, an aryl group (phenyl, styryl), a 2,3, or 4-methoxyphenyl group, and a -CH.dbd.CH.sub.2 group; and wherein R.sub.5 represents a member selected from the group consisting of a --OOC- R.sub.6 group, a ##STR4## group, and a -COOM group, wherein M represents an alkali or alkaline earth metal (Na, K, Ca, Mg), wherein R.sub.6 represents a member selected from the group consisting of R.sub.4 as defined above, with the proviso that R.sub.6 cannot be a hydrogen atom, and wherein R.sub.7 and R.sub.8 each represent a C.sub.1 -C.sub.3 alkyl group. The above-identified compounds exhibit anti-inflammatory activity in warm-blooded animals. Upon administration to warm-blooded animals, these compounds pass through the gastrointestinal tract and "cleave" in the bloodstream, thus releasing phenylbutazone or oxyphenbutazone in an anti-inflammatory effective amount at their therapeutic site or sites of activity.
    提供了新型的暂时性前药形式的苯丁酸和氧苯丁酸,具有以下公式: 其中R代表从以下组中选择的成员:C.sub.1-C.sub.2 O-烷基磺酰基,芳基(苯基,对甲苯基,萘基)磺酰基,烟酰基,异烟酰基,吡啶酰基,N-保护的天然氨基酸残基,其中氨基酸残基上的保护基通过氢解或水解可去除,以及含有C.sub.1-C.sub.2 N,N-二烷基氨基或C.sub.4-C.sub.6 环烷基氨基基团的氨基酸残基。 其中X和Y分别代表从氢原子和--OR.sub.1基团中选择的成员,条件是X或Y为氢原子,R.sub.2为由R.sub.1表示的相同或不同的基团中选择的成员。R.sub.1代表从以下组中选择的成员:氢原子,C.sub.1-C.sub.2 O-烷基磺酰基,芳基(苯基,对甲苯基,萘基)磺酰基,--CH.sub.2 COOM基团,其中M代表碱金属或碱土金属(Na,K,Ca,Mg),--CO-R.sub.3基团,其中R.sub.3代表直链或支链C.sub.1-C.sub.5烷基,C.sub.1-C.sub.2烷氧基,苯基,取代苯基,其取代基选择自2,3或4-羟基基团,2,3或4-乙酰氧基基团和2,3或4-乙酰氨基基团的组,2,3或4-吡啶基,1,2或5-咪唑基,N-保护的天然氨基酸残基的残基,其中氨基酸的氨基上的保护基通过氢解或水解可去除,以及含有C.sub.1-C.sub.2 N,N-二烷基氨基或C.sub.4-C.sub.5 环烷基氨基基团的氨基酸残基。 其中X或Y代表从氢原子和-OR.sub.1基团中选择的成员,其中R.sub.1如上所述,条件是X或Y为氢原子,R.sub.4代表从以下组中选择的成员:氢原子,C.sub.1-C.sub.5烷基,芳基(苯基,苯乙烯基),2,3或4-甲氧基苯基和-CH.dbd.CH.sub.2基团;R.sub.5代表从以下组中选择的成员:--OOC-R.sub.6基团,##STR4##基团和-COOM基团,其中M代表碱金属或碱土金属(Na,K,Ca,Mg),其中R.sub.6代表如上所述的R.sub.4成员,条件是R.sub.6不能是氢原子,R.sub.7和R.sub.8各代表C.sub.1-C.sub.3烷基。上述化合物在温血动物中表现出抗炎活性。在向温血动物施用时,这些化合物通过胃肠道并在血液中“裂解”,从而在其治疗部位或活性部位释放苯丁酸或氧苯丁酸的抗炎有效量。
  • Novel transient acyl derivatives of phenylbutazone
    申请人:Interx Research Corporation
    公开号:US04036845A1
    公开(公告)日:1977-07-19
    There is provided, novel, transient, pro-drug forms of phenylbutazone and oxyphenbutazone having the following formulas wherein the terms R, R.sub.2, R.sub.4, R.sub.5, X and Y are defined infra: ##STR1## The above-identified compounds exhibit anti-inflammatory activity in warm-blooded animals. Upon administration to warm-blooded animals, these compounds pass through the gastrointestinal tract and cleave in the bloodstream, thus releasing phenylbutazone or oxyphenbutazone in an anti-inflammatory effective amount at their therapeutic site or sites of activity.
    本文提供了苯丁酸和氧苯丁酸的新型短暂前药形式,其分子式如下,其中术语R、R.sub.2、R.sub.4、R.sub.5、X和Y的定义如下:##STR1## 上述化合物在温血动物中表现出抗炎活性。在向温血动物施用后,这些化合物经过胃肠道并在血液中裂解,从而在其治疗部位或活性部位释放出苯丁酸或氧苯丁酸的抗炎有效量。
  • Transient pro-drug forms of phenylbutazone
    申请人:INTERx Research Corporation
    公开号:US04117232A1
    公开(公告)日:1978-09-26
    Novel, transient pro-drug forms of the anti-inflammatories phenylbutazone and oxyphenbutazone are disclosed, the same having the structural formulae: ##STR1## wherein R is a member selected from the group consisting of C.sub.1 -C.sub.2 alkylsulfonyl, phenylsulfonyl, p-tolylsulfonyl and naphthylsulfonyl, and ##STR2## wherein X and Y each represent a member selected from the group consisting of a hydrogen atom and ##STR3## with the proviso that either X or Y is a hydrogen atom, R.sub.1 is selected from the group consisting of C.sub.1 -C.sub.2 alkylsulfonyl, phenylsulfonyl, p-tolylsulfonyl and naphthylsulfonyl, and R.sub.2 is selected from the group consisting of straight or branched chain C.sub.1 -C.sub.5 alkyl and phenyl.
    本发明揭示了抗炎药物苯丁酸和氧苯丁酸的新型瞬时前药形式,其结构式如下:其中R是从C.sub.1-C.sub.2烷基磺酰基,苯基磺酰基,对甲苯基磺酰基和萘基磺酰基中选择的成员;以及其中X和Y分别代表氢原子和##STR3##中选择的成员,但X或Y是氢原子,R.sub.1从C.sub.1-C.sub.2烷基磺酰基,苯基磺酰基,对甲苯基磺酰基和萘基磺酰基中选择的成员中选择,R.sub.2从直链或支链C.sub.1-C.sub.5烷基和苯基中选择。
  • 1,2-Diphenyl-3,5-ditrifluoroacetyloxy-4-butyl-5-hydroxy-3-pyrazoline
    申请人:INTERx Research Corporation
    公开号:US04139709A1
    公开(公告)日:1979-02-13
    The compound 1,2-Diphenyl-3,5-ditrifluoroacetyloxy-4-butyl-5-hydroxy-3-pyrazoline is disclosed as an intermediate useful in the preparation of selected pro-phenylbutazone derivatives. Such selected pro-phenylbutazone derivatives are novel, transient, pro-drug forms of phenylbutazone and oxyphenbutazone having the following formulae wherein R, R.sub.2, R.sub.4, R.sub.5, X and Y are as defined herein: ##STR1## The above-identified compounds exhibit anti-inflammatory activity in warm-blooded animals. Upon administration to warm-blooded animals, these compounds pass through the gastrointenstinal tract and cleave in the bloodstream, thus releasing phenylbutazone or oxyphenbutazone in an anti-inflammatory effective amount at their therapeutic site or sites of activity.
    1,2-二苯基-3,5-二三氟乙酰氧基-4-丁基-5-羟基-3-吡唑烷酮化合物被披露为制备选定的丙苯布洛仑衍生物中有用的中间体。这些选定的丙苯布洛仑衍生物是苯丁酸和氧苯丁酸的新型、短暂的、前药形式,其化学式如下,其中R、R.sub.2、R.sub.4、R.sub.5、X和Y如下所定义:##STR1## 上述化合物在温血动物中表现出抗炎活性。在给温血动物施用后,这些化合物通过胃肠道并在血液中断裂,从而在其治疗部位或活性部位释放苯丁酸或氧苯丁酸的抗炎有效量。
  • US3957803A
    申请人:——
    公开号:US3957803A
    公开(公告)日:1976-05-18
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