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2,6-bis(1-methylethoxy)phenol | 15206-39-0

中文名称
——
中文别名
——
英文名称
2,6-bis(1-methylethoxy)phenol
英文别名
2,6-diisopropyl-4-hydroxyiminocyclohexa-2,5-dien-1-one;2,6-diisopropyl-[1,4]benzoquinone-4-oxime;2,6-Diisopropyl-[1,4]benzochinon-4-oxim
2,6-bis(1-methylethoxy)phenol化学式
CAS
15206-39-0
化学式
C12H17NO2
mdl
——
分子量
207.272
InChiKey
RSSFZUBNUPMEGI-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):
    2.56
  • 重原子数:
    15.0
  • 可旋转键数:
    2.0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    49.66
  • 氢给体数:
    1.0
  • 氢受体数:
    3.0

上下游信息

  • 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:
    摘要:
    The chlorination and bromination of 2,3-dimethyl-, 3-methyl-6-isopropyl-, and 2,6-diisopropyl-4-aroyl(or arylsulfonyl)oxyimino-2,5-cyclohexadienones follow the proposed rules of halogenation of 4-aroyl-(or arylsulfonyl)oxyimino-2,5-cyclohexadienones: the reaction occurs preferentially at the cis-C=C bond of the quinoid ring; simultaneous halogenation at both double bonds is not observed; halogen adds mainly across unsubstituted C=C bond; no halogenation occurs at the double bond already substituted by a halogen; bromination of the C=C bond with an alkyl substituent is more difficult than chlorination; the second halogen molecule adds only after regioselective dehydrohalogenation.
    DOI:
    10.1023/a:1012403708255
  • 作为产物:
    参考文献:
    名称:
    The Effect of Alkyl Groups on 4-Nitro- and 4-Nitroso-phenols
    摘要:
    DOI:
    10.1021/jo01117a001
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文献信息

  • One pot synthesis of 1,2,3-benzodithiazol-6-ones
    作者:Cecilia Polo、Vicente Ramos、Tomás Torroba、Oleg A. Rakitin、Charles W. Rees
    DOI:10.1016/s0040-4020(97)10272-1
    日期:1998.1
  • Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime esrers: XI. Synthesis and halogenation of 4-[aryl(alkyl)aminocarbonyl-oxyimino]cyclohexa-2,5-dien-1-ones
    作者:A. P. Avdeenko、S. A. Konovalova、A. G. Sergeeva
    DOI:10.1134/s1070428010060102
    日期:2010.6
    4-[Aryl(alkyl)aminocarbonyloxyimino]cyclohexa-2,5-dien-1-ones were synthesized by treatment of various substituted p-quinone monooximes with aryl isocyanates. The selectivity in the halogenation of the obtained p-quinone monooxime esters depended on the substrate structure and was either completely (syn addition) or partly regioselective (syn or anti addition). In all cases, the effect of steric factor was crucial, and the reaction was accompanied by halogenation of the aryl fragment.
  • Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime esters: VII. Halogenation of 4-aroyl(arylsulfonyl)imino- and 4-aroyl(arylsulfonyl)-oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones
    作者:A. P. Avdeenko、V. V. Pirozhenko、O. V. Shishkin、S. V. Shishkina、S. A. Konovalova、O. N. Ludchenko
    DOI:10.1134/s1070428008040131
    日期:2008.4
    Halogenation of 4-aroyl(arylsulfonyl)imino-2,6-diisopropylcyclohexa-2,5-dien-1-ones gave 4-aroyl(arylsulfonyl)imino-3-halo-2,6-diisopropylcyclohexa-2,5-dien- -1-ones and 4-aroyl(arylsulfonyl)imino-3,5,6-trihalo-2,6-diisopropylcyclobex-2-en-1-ones. The latter were formed as mixtures of two stereoisomers, and the isopropyl group on the sp(3)-hybridized carbon atom in one stereoisomer occupies axial position, which is untypical of such compounds. Halogenation of 4-aroyl(arylsulfonyl)oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones leads to the formation of the corresponding addition products with traditional trans-diaxial arrangement of the halogen atoms.
  • BURMISTROV, K. S.;TOROPIN, N. V.;BURMISTROV, S. I., YKP. XIM. ZH., 1981, 47, N 8, 853-857
    作者:BURMISTROV, K. S.、TOROPIN, N. V.、BURMISTROV, S. I.
    DOI:——
    日期:——
  • The Effect of Alkyl Groups on 4-Nitro- and 4-Nitroso-phenols
    作者:WYMAN R. VAUGHAN、G. KIRKWOOD FINCH
    DOI:10.1021/jo01117a001
    日期:1956.11
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