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4-(2-aminomethyl)-1,2-diphenyl-3,5-pyrazolidinedione | 106268-15-9

中文名称
——
中文别名
——
英文名称
4-(2-aminomethyl)-1,2-diphenyl-3,5-pyrazolidinedione
英文别名
4-(2-amino-ethyl)-1,2-diphenyl-pyrazolidine-3,5-dione;4-(2-Amino-aethyl)-1,2-diphenyl-pyrazolidin-3,5-dion;4-(2-Aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione;4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
4-(2-aminomethyl)-1,2-diphenyl-3,5-pyrazolidinedione化学式
CAS
106268-15-9
化学式
C17H17N3O2
mdl
——
分子量
295.341
InChiKey
WMGQLPKJZRBHPB-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:
    440.7±37.0 °C(Predicted)
  • 密度:
    1.265±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.6
  • 重原子数:
    22
  • 可旋转键数:
    4
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    66.6
  • 氢给体数:
    1
  • 氢受体数:
    3

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
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Preparation and evaluation of electrophilic derivatives of phenylbutazone as inhibitors of prostaglandin-H-synthase
    摘要:
    The chemical syntheses and biological evaluation of several potential irreversible inhibitors for prostaglandin (PGH) synthase are described. These inhibitors were modeled after the nonsteroidal antiinflammatory (NSAI) drug phenylbutazone (4-n-butyl-1,2-diphenyl-3,5-pyrazolidinedione). Electrophilic functionalities such as an alpha-bromoacetamide, an alpha-chloroacetamide, a phenylurethane, a propargyl chloride, and several alpha,beta-unsaturated Michael acceptors were incorporated at the 4-position of the pyrazolidinedione ring structure. None of the derivatives showed evidence of irreversible inhibition of PGH synthase, although several were nearly as potent inhibitors of this enzyme as phenylbutazone. The nitrile obtained from 1,4-conjugate addition of cyanide to one of the unsaturated derivatives was considerably more potent as an inhibitor of PGH synthase than was phenylbutazone.
    DOI:
    10.1021/jm00386a020
  • 作为产物:
    描述:
    4-(cyanomethyl)-1,2-diphenyl-3,5-pyrazolidinedione 在 lithium aluminium tetrahydride 作用下, 生成 4-(2-aminomethyl)-1,2-diphenyl-3,5-pyrazolidinedione
    参考文献:
    名称:
    Logemann et al., Chemische Berichte, 1955, vol. 88, p. 1353,1359
    摘要:
    DOI:
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文献信息

  • POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION
    申请人:Mitsui Chemicals, Inc.
    公开号:EP3835329A1
    公开(公告)日:2021-06-16
    Provided is a polymerization initiator, which has an excellent curing rate and is an alternative to a polymerization initiator system using a benzoyl peroxide-aromatic amine compound, a curable composition containing the polymerization initiator, a dental material and dental filler material containing the composition, and a kit for preparing the curable composition. The present invention includes a polymerization initiator containing one or more compounds (A) selected from the group consisting of a pyrazolidinedione compound and/or pyrazolidine(di)thione compound (A1), a salt (A2) of the compound (A1), and a malonate compound (A3).
    本发明提供了一种聚合引发剂,它具有优异的固化率,可替代使用过氧化苯甲酰-芳香胺化合物的聚合引发剂体系;还提供了一种含有该聚合引发剂的可固化组合物、一种含有该组合物的牙科材料和牙科填充材料,以及一种用于制备该可固化组合物的试剂盒。 本发明包括一种聚合引发剂,其中含有一种或多种选自由吡唑烷二酮化合物和/或吡唑烷(二)硫酮化合物(A1)、化合物(A1)的盐(A2)和丙二酸酯化合物(A3)组成的组的化合物(A)。
  • Logemann et al., Chemische Berichte, 1955, vol. 88, p. 1353,1359
    作者:Logemann et al.
    DOI:——
    日期:——
  • [EN] POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION<br/>[FR] INITIATEUR DE POLYMÉRISATION, COMPOSITION DURCISSABLE, MATÉRIAU DENTAIRE ET KIT DE PRÉPARATION DE COMPOSITION DURCISSABLE<br/>[JA] 重合開始剤、硬化性組成物、歯科材料および硬化性組成物の調製用キット
    申请人:MITSUI CHEMICALS INC
    公开号:WO2020031897A1
    公开(公告)日:2020-02-13
    硬化速度に優れ、過酸化ベンゾイル-芳香族アミン化合物を使用する重合開始剤系の代替となる、重合開始剤、該重合開始剤を含んだ硬化性組成物、該組成物を含んだ歯科材料および歯科用充填材料、並びに該硬化性組成物の調製用のキットを提供する。 本発明は、ピラゾリジンジオン化合物および/またはピラゾリジン(ジ)チオン化合物(A1)、化合物(A1)の塩(A2)、およびマロン酸エステル化合物(A3)からなる群より選択される一つ以上の化合物(A)を含む重合開始剤を含む。
  • Preparation and evaluation of electrophilic derivatives of phenylbutazone as inhibitors of prostaglandin-H-synthase
    作者:Jonathan L. Vennerstrom、Thomas J. Holmes
    DOI:10.1021/jm00386a020
    日期:1987.3
    The chemical syntheses and biological evaluation of several potential irreversible inhibitors for prostaglandin (PGH) synthase are described. These inhibitors were modeled after the nonsteroidal antiinflammatory (NSAI) drug phenylbutazone (4-n-butyl-1,2-diphenyl-3,5-pyrazolidinedione). Electrophilic functionalities such as an alpha-bromoacetamide, an alpha-chloroacetamide, a phenylurethane, a propargyl chloride, and several alpha,beta-unsaturated Michael acceptors were incorporated at the 4-position of the pyrazolidinedione ring structure. None of the derivatives showed evidence of irreversible inhibition of PGH synthase, although several were nearly as potent inhibitors of this enzyme as phenylbutazone. The nitrile obtained from 1,4-conjugate addition of cyanide to one of the unsaturated derivatives was considerably more potent as an inhibitor of PGH synthase than was phenylbutazone.
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