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N,N-二戊基苯-1,4-二胺 | 105293-92-3

中文名称
N,N-二戊基苯-1,4-二胺
中文别名
——
英文名称
4-N,4-N-dipentylbenzene-1,4-diamine
英文别名
——
N,N-二戊基苯-1,4-二胺化学式
CAS
105293-92-3
化学式
C16H28N2
mdl
——
分子量
248.412
InChiKey
UOGMJXGHVQKVGQ-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:
    371.5±15.0 °C(Predicted)
  • 密度:
    0.949±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.9
  • 重原子数:
    18
  • 可旋转键数:
    9
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.62
  • 拓扑面积:
    29.3
  • 氢给体数:
    1
  • 氢受体数:
    2

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

  • 作为反应物:
    描述:
    9-氯吖啶N,N-二戊基苯-1,4-二胺盐酸 作用下, 以 甲醇 为溶剂, 反应 0.5h, 生成 9-{[4-(N,N-dipentylamino)phenyl]amino}acridine
    参考文献:
    名称:
    Structure−Activity Relationships for the Antileishmanial and Antitrypanosomal Activities of 1‘-Substituted 9-Anilinoacridines
    摘要:
    Members of the class of 9-anilinoacridine topoisomerase II inhibitors bearing lipophilic electron-donating 1'-anilino substituents are active against both the promastigote and amastigote forms of the parasite Leishmania major. A series of analogues of the known 1'-NHhexyl lead compound were prepared and evaluated against L. major in macrophage culture to further develop structure-activity relationships (SAR). Toxicity toward mammalian cells was measured in a human leukemia cell line, and the ratio of the two IC50 values (IC50(J)/IC50(L)) was used as a measure of the in vitro therapeutic index (IVTI). A 3,6-diNMe(2) substitution pattern on the acridine greatly increased toxicity to L. major without altering mammalian toxicity, increasing IVTIs over that of the lead compound. The 2-OMe, 6-Cl acridine substitution pattern used in the antimalarial drug mepacrine also resulted in potent antileishmanial activity and high IVTIs. Earlier suggestions of the utility of 2'-OR groups in lowering mammalian cytotoxicity were not borne out in this wider study. A series of very lipophilic 1'-NRR (symmetric dialkylamino)-substituted analogues showed relatively high antileishmanial potency, but no clear trend was apparent across the series, and none were superior to the 1'-NH(CH2)(5)Me subclass. Subsets of the most active 1'-N(R)(CH2)(5)Me- and 1'-N(alkyl)(2)-substituted compounds against L. major were also evaluated against Leishmania donovani, Trypanosoma cruzi, and Trypanosoma brucei, but no consistent SAR could be discerned in these physiologically diverse test systems. The present study has confirmed earlier conclusions that lipophilic electron-donating groups at the 1'-position of 9-anilinoacridines provide high activity against L. major, but the SAR patterns observed do not carry over to the other parasites studied.
    DOI:
    10.1021/jm970232h
  • 作为产物:
    描述:
    二戊胺 在 platinum on activated charcoal 氢气 作用下, 以 甲醇乙醇 为溶剂, 反应 48.0h, 生成 N,N-二戊基苯-1,4-二胺
    参考文献:
    名称:
    Structure−Activity Relationships for the Antileishmanial and Antitrypanosomal Activities of 1‘-Substituted 9-Anilinoacridines
    摘要:
    Members of the class of 9-anilinoacridine topoisomerase II inhibitors bearing lipophilic electron-donating 1'-anilino substituents are active against both the promastigote and amastigote forms of the parasite Leishmania major. A series of analogues of the known 1'-NHhexyl lead compound were prepared and evaluated against L. major in macrophage culture to further develop structure-activity relationships (SAR). Toxicity toward mammalian cells was measured in a human leukemia cell line, and the ratio of the two IC50 values (IC50(J)/IC50(L)) was used as a measure of the in vitro therapeutic index (IVTI). A 3,6-diNMe(2) substitution pattern on the acridine greatly increased toxicity to L. major without altering mammalian toxicity, increasing IVTIs over that of the lead compound. The 2-OMe, 6-Cl acridine substitution pattern used in the antimalarial drug mepacrine also resulted in potent antileishmanial activity and high IVTIs. Earlier suggestions of the utility of 2'-OR groups in lowering mammalian cytotoxicity were not borne out in this wider study. A series of very lipophilic 1'-NRR (symmetric dialkylamino)-substituted analogues showed relatively high antileishmanial potency, but no clear trend was apparent across the series, and none were superior to the 1'-NH(CH2)(5)Me subclass. Subsets of the most active 1'-N(R)(CH2)(5)Me- and 1'-N(alkyl)(2)-substituted compounds against L. major were also evaluated against Leishmania donovani, Trypanosoma cruzi, and Trypanosoma brucei, but no consistent SAR could be discerned in these physiologically diverse test systems. The present study has confirmed earlier conclusions that lipophilic electron-donating groups at the 1'-position of 9-anilinoacridines provide high activity against L. major, but the SAR patterns observed do not carry over to the other parasites studied.
    DOI:
    10.1021/jm970232h
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文献信息

  • POLYSULFIDE MIXTURE, METHOD FOR PRODUCING SAME, AND USE OF THE POLYSULFIDE MIXTURE IN RUBBER MIXTURES
    申请人:LANXESS Deutschland GmbH
    公开号:US20150274655A1
    公开(公告)日:2015-10-01
    The present invention relates to polysulfide mixtures comprising two or more compounds of the formula (I), where the cations K 1 + and K 2 + mutually independently are any desired monovalent or are the nth part of an n-valent cation, and m is 0, 1, and/or 2, to a process for the production of these polysulfide mixtures, to the use of the polysulfide mixtures in rubber mixtures, to the rubber mixtures, to rubber vulcanizates produced therefrom, and to the use of these.
    本发明涉及包含两种或更多的式(I)化合物的聚混合物,其中阳离子K1+和K2+相互独立地是任意所需的一价离子或是n价离子的n分之一,m为0、1和/或2,以及用于生产这些聚混合物的方法,以及在橡胶混合物中使用这些聚混合物,橡胶混合物,由此制备的橡胶化胶和这些的使用。
  • [EN] PREPARATION METHOD FOR ASYMMETRIC DIARYL SUBSTITUTED P-PHENYLENEDIAMINE COMPOUND<br/>[FR] PROCÉDÉ DE PRÉPARATION POUR COMPOSÉ P-PHÉNYLÈNEDIAMINE SUBSTITUÉ PAR UN GROUPE DIARYLE ASYMÉTRIQUE<br/>[ZH] 不对称二芳基取代型对苯二胺类化合物的制备方法
    申请人:SENNICS CO LTD
    公开号:WO2022048565A1
    公开(公告)日:2022-03-10
    本发明提供一种不对称二芳基取代型对苯二胺类化合物的制备方法,所述化合物具有如下式A所示的结构,所述方法包括:(1)在负载型FeCl3催化剂的存在下使对苯二酚和式B化合物反应,得到式C化合物;和(2)在无FeCl3的存在下使式C化合物和式D化合物反应,得到式A化合物;式A-D中,各基团如文中所定义。采用本发明的方法可以高效、便利地制备不对称二芳基取代型对苯二胺类化合物。
  • Synthetic rubber that exhibits low hysteresis
    申请人:Dalphond Alexandre Jake
    公开号:US20060100320A1
    公开(公告)日:2006-05-11
    This invention discloses a rubbery polymer which is comprised of repeat units that are derived from (1) at least one conjugated diolefin monomer, and (2) 0.1 weight percent to 2 weight percent of at least one monomer having the structural formula: wherein R represents an alkyl group containing from 1 to about 10 carbon atoms or a hydrogen atom, wherein R′ represents a methyl group or a hydrogen atom, with the proviso that if R represents an alkyl group then R′ represents a hydrogen atom, wherein R 1 and R 2 can be the same or different, wherein R 1 represents an alkyl group that is functionalized with a leaving group, wherein R 2 represents a moiety selected from the group consisting of hydrogen atoms, alkyl groups containing from 1 to 18 carbon atoms, aryl groups containing from 6 to 18 carbon atoms, alkaryl groups containing from 7 to 18 carbon atoms, and alkyl groups that are functionalized with a leaving group, wherein the rubbery polymer is void of moieties containing tertiary amine groups, and wherein the rubbery polymer is void of repeat units which are derived from α,β-olefinically unsaturated amides.
    本发明揭示了一种橡胶聚合物,其由重复单元组成,该重复单元由(1)至少一种共轭双烯单体和(2)0.1重量%至2重量%的至少一种单体组成,该单体具有结构式:其中R表示含有1至约10个碳原子的烷基或氢原子的烷基基团,其中R'表示甲基基团或氢原子,但如果R表示烷基,则R'表示氢原子,其中R1和R2可以相同或不同,其中R1表示具有离去基团的烷基基团,其中R2表示从氢原子,含有1至18个碳原子的烷基基团,含有6至18个碳原子的芳基基团,含有7至18个碳原子的烷芳基团或具有离去基团的烷基基团中选择的基团,其中该橡胶聚合物不含有含有三级胺基团的基团,且该橡胶聚合物不含有由α,β-烯丙基未饱和酰胺衍生的重复单元。
  • Antiozonant blends
    申请人:Hannon J. Martin
    公开号:US20070260000A1
    公开(公告)日:2007-11-08
    An antiozonant mixture is disclosed wherein said mixture comprises at least two compounds, (A) at least one of which is of the structure and (B) at least one other of which is of the structure wherein R 1 is a straight chain, branched, or cyclic alkyl group comprising from three to seven carbon atoms, and R 2 is a straight chain, branched, or cyclic alkyl group comprising at least eleven carbon atoms.
    本发明公开了一种抗臭氧混合物,其中所述混合物包括至少两种化合物,(A)至少其中一种化合物的结构为(B)至少另一种化合物的结构为其中,R1是由三到七个碳原子组成的直链、支链或环烷基,而R2是由至少十一个碳原子组成的直链、支链或环烷基。
  • AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS
    申请人:Leduc Madeleine
    公开号:US20110041261A1
    公开(公告)日:2011-02-24
    The invention relates to the dyeing of keratinous fibres using azomethine direct dyes of formula (I) or reduced precursors of azomethine direct dyes of formula (II) obtained from 2-chloro-3-amino-6-methylphenol. A subject-matter of the invention is a dyeing composition comprising at least one chlorinated azomethine direct dye or one reduced precursor of a chlorinated azomethine direct dye, a method for dyeing keratinous fibres which employs the said composition and their uses in the dyeing of keratinous fibres. This composition makes it possible to obtain a particularly stable and consistent colouring.
    本发明涉及使用公式(I)的偶氮甲基直接染料或公式(II)的还原前体来染色角蛋白纤维。所述偶氮甲基直接染料或其还原前体是由2--3-基-6-甲基苯酚制备而成。本发明的一种对象是染料组合物,包括至少一种化偶氮甲基直接染料或一种化偶氮甲基直接染料的还原前体,以及一种用于染色角蛋白纤维的方法,该方法采用上述组合物,并且该组合物在染色角蛋白纤维时能够获得特别稳定和一致的着色。
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