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1-(3,6-二羟基-2-甲基苯基)乙酮 | 176177-16-5

中文名称
1-(3,6-二羟基-2-甲基苯基)乙酮
中文别名
——
英文名称
2',5'-dihydroxy-6'-methylacetophenone
英文别名
1-(3,6-dihydroxy-2-methylphenyl)ethan-1-one;1-(3,6-Dihydroxy-2-methylphenyl)ethanone
1-(3,6-二羟基-2-甲基苯基)乙酮化学式
CAS
176177-16-5
化学式
C9H10O3
mdl
——
分子量
166.177
InChiKey
VWYLDCOIBCMQPH-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

  • 熔点:
    122.5–123.5°C

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    12
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.22
  • 拓扑面积:
    57.5
  • 氢给体数:
    2
  • 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

反应信息

  • 作为反应物:
    描述:
    1-(3,6-二羟基-2-甲基苯基)乙酮 在 sodium sulfate 、 silver(l) oxide 作用下, 以 为溶剂, 反应 194.5h, 生成 2-acetyl-4a,5,8,8a-tetrahydro-3-methyl-1,4-naphthoquinone
    参考文献:
    名称:
    2-乙酰-5,8-二氢-1,4-二羟基-3-甲基萘的合成:5-甲基-和6-甲基-2-乙酰-1的狄尔斯-阿尔德加合物异构化的产物, 4-苯醌与 1,3-丁二烯
    摘要:
    2-乙酰基-5,8-二氢-1,4-二羟基-3-甲基-萘是通过2-乙酰-3-甲基-1,4-苯醌与丁-1,3-二烯的狄尔斯-阿尔德加成合成的随后进行烯醇化。它与通过吡啶诱导乙酰基迁移从 3-和 6-甲基-2-乙酰基-1,4-苯醌的 1,3-丁二烯加合物获得的材料相同。
    DOI:
    10.1080/00397919608003486
  • 作为产物:
    描述:
    参考文献:
    名称:
    2-乙酰-5,8-二氢-1,4-二羟基-3-甲基萘的合成:5-甲基-和6-甲基-2-乙酰-1的狄尔斯-阿尔德加合物异构化的产物, 4-苯醌与 1,3-丁二烯
    摘要:
    2-乙酰基-5,8-二氢-1,4-二羟基-3-甲基-萘是通过2-乙酰-3-甲基-1,4-苯醌与丁-1,3-二烯的狄尔斯-阿尔德加成合成的随后进行烯醇化。它与通过吡啶诱导乙酰基迁移从 3-和 6-甲基-2-乙酰基-1,4-苯醌的 1,3-丁二烯加合物获得的材料相同。
    DOI:
    10.1080/00397919608003486
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文献信息

  • [EN] SEPARATION OF CHIRAL ISOMERS BY SFC<br/>[FR] SÉPARATION D'ISOMÈRES CHIRAUX PAR CPS
    申请人:DSM IP ASSETS BV
    公开号:WO2016188945A1
    公开(公告)日:2016-12-01
    The present invention relates to the field of separating chiral isomers from each other. Particularly, it relates to the field of separating of chiral isomers of chromane or chromene compounds, particularly tocopherols, 3,4-dehydro-tocopherols and tocotrienols, as well as the protected forms thereof. It has been found that the use of supercritical carbon dioxide as mobile phase combined with the very specific chiral phase as stationary phase leads to a very efficient separation of the individual chiral isomers. As the method is very efficient and fast combined with advantageous in view of ecology it is of big industrial interest.
    本发明涉及从彼此分离手性异构体的领域。特别是涉及将手性异构体分离的领域,尤其是对苯二酚或色酮化合物的手性异构体,特别是生育酚、3,4-脱氢生育酚和生育三烯酚,以及它们的保护形式。发现使用超临界二氧化碳作为流动相,结合非常特定的手性相作为静相,可以非常高效地分离各个手性异构体。由于该方法非常高效且快速,并且在生态方面具有优势,因此具有很大的工业利益。
  • [EN] PROCESS FOR PREPARING CHIRAL QUINONE<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE QUINONE CHIRAL
    申请人:DSM IP ASSETS BV
    公开号:WO2013041676A1
    公开(公告)日:2013-03-28
    The present invention relates to a process of preparing tocotrienol quinones. It has been found that this process allows the formation of the R-isomer in a high yield in a very efficient and economically interesting way. Said process is particularly useful when implemented in an industrial process. Furthermore, it has been found that this process allows using isomer mixtures as they result from traditional industrial synthesis.
    本发明涉及一种制备生育三烯醇醌的工艺。发现该工艺以一种高产率、高效率和经济利益显著的方式形成R-异构体。该工艺在工业生产中实施时特别有用。此外,发现该工艺允许使用异构体混合物,这些混合物是传统工业合成的结果。
  • Process for preparing chiral quinone
    申请人:DSM IP Assets B.V.
    公开号:EP2573063A1
    公开(公告)日:2013-03-27
    The present invention relates to a process of preparing tocotrienol quinones. It has been found that this process allows the formation of the R-isomer in a high yield in a very efficient and economically interesting way. Said process is particularly useful when implemented in an industrial process. Furthermore, it has been found that this process allows using isomer mixtures as they result from traditional industrial synthesis.
    本发明涉及一种制备生育三烯醇醌的过程。已发现该过程可以以高产率、高效率和经济实惠的方式形成R-异构体。当在工业过程中实施该过程时,该过程特别有用。此外,已发现该过程允许使用异构体混合物,因为它们是从传统工业合成中得出的。
  • Multifunction "Crown Complexes" from Amino Acids and Peptides for Skin and Hair Restoration
    申请人:Gupta K Shyam
    公开号:US20070099886A1
    公开(公告)日:2007-05-03
    This invention relates to Schiff's bases derived from amino acids and hydroxyaryl alkyl ketones, or a plant extract containing the same, having general chemical structure in FIG. 1 for topical application. This invention also relates to certain metal complex of said Schiff's bases, which have a crown-like appearance in their three-dimensional chemical structure, as in FIG. 2 . The Schiff's bases and their metal complexes of the present invention are useful for the modulation of metal-activated enzymes and metalloenzymes, such as Phenylalanine Hydroxylase, Tyrosine Transaminase, Phenylalanine Transaminase, Tyrosinase, various MMP (Matrix metalloproteases), Superoxide dismutase, 5-Alpha Reductase, and citrate lyase. These are further suitable for multifunctional topical methods for skin whitening, skin wrinkles reduction, skin antiaging, collagen synthesis, acne control, hair loss prevention, hair graying control, and facial oil control.
    本发明涉及从氨基酸和羟基芳基烷基酮衍生的席夫碱,或含有该类化合物的植物提取物,其具有图1中的一般化学结构,用于局部应用。本发明还涉及所述席夫碱的某些金属配合物,其在三维化学结构中呈冠状外观,如图2所示。本发明的席夫碱及其金属配合物对于调节金属活化酶和金属酶,例如苯丙氨酸羟化酶、酪氨酸转氨酶、苯丙氨酸转氨酶、酪氨酸酶、各种基质金属蛋白酶、超氧化物歧化酶、5α-还原酶和柠檬酸裂解酶具有用途。此外,它们还适用于多功能局部方法,如美白肌肤、减少皮肤皱纹、抗衰老、胶原蛋白合成、控制痤疮、预防脱发、控制白发和面部油脂控制。
  • Hair Loss Prevention by Natural Amino Acid and Peptide Complexes
    申请人:GUPTA SHYAM K
    公开号:US20090253668A1
    公开(公告)日:2009-10-08
    This invention relates to certain skin and hair care agents of formula (I), derived from natural amino acids and peptides. These agents provide multi-functional treatment of enzyme-related skin, hair and scalp problems, for example, hair aging including premature hair loss and hair graying; male pattern baldness; hair loss from dandruff; alopecia; split ends, acne, darkened skin, dark circles around eyes, stretch marks, wrinkles and fine lines, loss of collagen, loss of skin pliability and combinations thereof:
    本发明涉及公式(I)的某些皮肤和头发护理剂,这些护理剂源自天然氨基酸和肽。这些护理剂提供多功能的酶相关皮肤、头发和头皮问题的治疗,例如,头发老化,包括过早脱发和白发;男性型脱发;头皮屑引起的脱发;脱发斑秃;分叉,痤疮,皮肤变黑,眼周黑眼圈,妊娠纹,皱纹和细纹,胶原蛋白流失,皮肤柔韧性流失和它们的组合:
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