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2-甲基-4-十一烷酮 | 19594-40-2

中文名称
2-甲基-4-十一烷酮
中文别名
2-甲基-4-甲壬酮
英文名称
2-methyl-4-undecanone
英文别名
2-methylundecan-4-one
2-甲基-4-十一烷酮化学式
CAS
19594-40-2
化学式
C12H24O
mdl
——
分子量
184.322
InChiKey
IEBAJFDSHJYDCK-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:
    -11.27°C (estimate)
  • 沸点:
    124 °C / 20mmHg
  • 密度:
    0.82
  • 闪点:
    91 °C

计算性质

  • 辛醇/水分配系数(LogP):
    4.4
  • 重原子数:
    13
  • 可旋转键数:
    8
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.92
  • 拓扑面积:
    17.1
  • 氢给体数:
    0
  • 氢受体数:
    1

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:
    2-甲基-4-十一烷酮三甲基氯硅烷 生成 [(E)-dodec-5-en-5-yl]oxy-trimethylsilane
    参考文献:
    名称:
    CAHIEZ, GERARD;FIGADERE, BRUNO;TOZZOLINO, PIERRE
    摘要:
    DOI:
  • 作为产物:
    描述:
    2-isopropyl-3-oxo-decanethioic acid S-methyl ester 在 氢气 作用下, 以 为溶剂, 生成 2-甲基-4-十一烷酮
    参考文献:
    名称:
    α-substitution of ketones via β-Keto thiolesters
    摘要:
    DOI:
    10.1016/s0040-4039(01)86522-9
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文献信息

  • SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR
    申请人:JAPAN TOBACCO INC.
    公开号:US20140221378A1
    公开(公告)日:2014-08-07
    Provided is a substituted spiropyrido[1,2-a]pyrazine derivative or a pharmaceutically acceptable salt thereof, which is useful as an anti-HIV agent. The present invention relates to a compound represented by the following formula [I] or [II] or a pharmaceutically acceptable salt thereof: wherein each symbol is as defined in the specification.
    提供了一种替代的螺环吡啶并[1,2-a]吡嗪衍生物或其药用盐,其作为一种抗HIV药物。本发明涉及以下式[I]或[II]所表示的化合物或其药用盐: 其中每个符号如规范中定义的那样。
  • Aspartates containing ketimine-groups and their use in coating compositions
    申请人:Bayer MaterialScience LLC
    公开号:EP1518852A1
    公开(公告)日:2005-03-30
    The present invention relates to novel aspartates, their method of production and the use of these aspartates as reactive components for polyisocyanates in two-component polyurethane coating compositions and for preparing polyurethane prepolymers. The aspartaes are prepared by first reacting a di- or polyamine with an unsaturated ester and then reacting the resultant product with a ketone.
    本发明涉及新型天冬氨酸盐,其生产方法以及将这些天冬氨酸盐作为双组分聚氨酯涂料组合物中聚异氰酸酯的反应组分和制备聚氨酯预聚物的用途。这些天冬氨酸盐是通过首先将二元或多元胺与不饱和酯反应,然后将所得产物与酮反应制备而成的。
  • [EN] KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF<br/>[FR] CÉTO-ESTERS D'ANHYDROPENTITOLS ET LEURS UTILISATIONS
    申请人:XLTERRA INC
    公开号:WO2010138842A1
    公开(公告)日:2010-12-02
    The present disclosure relates to the preparation of ketal compounds from anhydropentitols and oxocarboxylates; derivatives, homopolymers, and copolymers thereof; and various compositions, formulations, and articles derived therefrom.
    本公开涉及从无水戊糖醇和羰基羧酸酯制备缩酮化合物;以及它们的衍生物、同聚物和共聚物;以及由此衍生的各种组合物、配方和制品。
  • PROCESS FOR PREPARATION OF NORBORNENE DERIVATIVES
    申请人:JX Nippon Oil & Energy Corporation
    公开号:EP2444386A1
    公开(公告)日:2012-04-25
    A method for producing a norbornene derivative, comprising: a first step of forming a Mannich base by reacting a carbonyl compound and an amine compound with each other in an acidic solvent, to thereby obtain a reaction liquid comprising the Mannich base in the acidic solvent, the acidic solvent comprising a formaldehyde derivative and 0.01 mol/L or more of an acid represented by the formula: HX (In the formula, X represents F or the like), the carbonyl compound being represented by any of the following general formulae (1) to (3): [in formulae (1) to (3), R1, R2, R3, R4, R5, and R6 each independently represent a hydrogen atom or the like, and n represents an integer of any of 0 to 4], the amine compound being represented by the following general formula (4): [in the formula (4), R7S each independently represent a linear chain saturated hydrocarbon group having 1 to 20 carbon atoms or the like, and X- represents F- or the like], the Mannich base being represented by any of the following general formulae (5) to (7): [R1, R2, R3, R4, R5, R6, and n in the formulae (5) to (7) have the same meanings as those of R1, R2, R3, R4, R5, R6, and n in the formulae (1) to (3), and R7 and X- in the formulae (5) to (7) have the same meanings as those of R7 and X- in the formula (4)] and a second step of reacting the Mannich base and a diene compound with each other by adding an organic solvent, a base in an amount of 1.0 to 20.0 equivalents to the acid, and the diene compound to the reaction liquid, and then heating the reaction liquid, to thereby form a norbornene derivative, the diene compound being represented by the following general formula (8): [in the formula (8), R8 represents a hydrogen atom or the like], the norbornene derivative being represented by any of the following general formulae (9) to (11): [R1, R2, R3, R4, R5, R6, and n in the formulae (9) to (11) have the same meanings as those of R1, R2, R3, R4, R5, R6, and n in the formulae (1) to (3), and R8 in the formulae (9) to (11) has the same meaning as that of R8 in the formula (8)].
    一种制备去氢莰烯衍生物的方法,包括以下步骤:第一步,在酸性溶剂中使羰基化合物和胺基化合物反应,形成曼尼希碱,从而在酸性溶剂中获得包含曼尼希碱的反应液,所述酸性溶剂包括甲醛衍生物和代表为HX的酸,其中HX中的X代表F或类似物,所述羰基化合物由以下通式(1)至(3)中的任一通式表示:[在通式(1)至(3)中,R1、R2、R3、R4、R5和R6各自独立地代表氢原子或类似物,n代表0至4中的任一整数],所述胺基化合物由以下通式(4)表示:[在通式(4)中,R7S各自独立地代表具有1至20个碳原子或类似物的线性链饱和碳氢基团,X-代表F-或类似物],所述曼尼希碱由以下通式(5)至(7)中的任一通式表示:[在通式(5)至(7)中,R1、R2、R3、R4、R5、R6和n的含义与通式(1)至(3)中的R1、R2、R3、R4、R5、R6和n的含义相同,通式(5)至(7)中的R7和X-的含义与通式(4)中的R7和X-的含义相同];第二步,通过向反应液中加入有机溶剂、相当于酸的1.0至20.0当量的碱和二烯化合物,然后加热反应液,使曼尼希碱与二烯化合物发生反应,从而形成去氢莰烯衍生物,所述二烯化合物由以下通式(8)表示:[在通式(8)中,R8代表氢原子或类似物],所述去氢莰烯衍生物由以下通式(9)至(11)中的任一通式表示:[在通式(9)至(11)中,R1、R2、R3、R4、R5、R6和n的含义与通式(1)至(3)中的R1、R2、R3、R4、R5、R6和n的含义相同,通式(9)至(11)中的R8的含义与通式(8)中的R8的含义相同]。
  • CARBOXY ESTER KETALS, METHODS OF MANUFACTURE, AND USES THEREOF
    申请人:SEGETIS, INC.
    公开号:US20140147395A1
    公开(公告)日:2014-05-29
    This disclosure is directed to compound of formula (1): wherein R 1 is a C 7-18 alkyl, R 2 is hydrogen or a C 1-3 alkyl, each R 3 , R 4 , R 5 , R 6 , and R 7 is independently hydrogen or a C 1-6 alkyl, a is 2-3, and b is 0-1, its method of preparation and uses thereof in water-borne coating compositions, cleaning compositions, fragrance, and personal care compositions.
    这项披露涉及到化合物的结构式(1):其中R1是C7-18烷基,R2是氢或C1-3烷基,每个R3、R4、R5、R6和R7独立地是氢或C1-6烷基,a为2-3,b为0-1,以及其在水性涂料组合物、清洁组合物、香料和个人护理组合物中的制备方法和用途。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
raman
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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