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12-溴十二酸甲酯 | 26825-95-6

中文名称
12-溴十二酸甲酯
中文别名
——
英文名称
methyl 12-bromododecanoate
英文别名
12-bromo-dodecanoic acid methyl ester;12-bromododecanoic acid methyl ester;12-Brom-dodecansaeure-methylester;methyl ω-bromoundecanecarboxylate
12-溴十二酸甲酯化学式
CAS
26825-95-6
化学式
C13H25BrO2
mdl
——
分子量
293.244
InChiKey
QNXOHINFQALBQN-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):
    5.1
  • 重原子数:
    16
  • 可旋转键数:
    12
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.92
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 危险性防范说明:
    P261,P280,P305+P351+P338
  • 危险性描述:
    H302,H312,H315,H319,H332,H335
  • 储存条件:
    存储条件:2-8°C,避光干燥。

SDS

SDS:25aedbf0078bf4d61a4029ffd3f1b226
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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
    —— methyl 12-hydroxydodecanoate 71655-36-2 C13H26O3 230.348
    12-溴十二烷酸 12-bromododecanoic acid 73367-80-3 C12H23BrO2 279.217
    氧杂环十三烷-2-酮 oxacyclotridecan-2-one 947-05-7 C12H22O2 198.305
    12-羟基十二酸 12-hydroxydodecanoic acid 505-95-3 C12H24O3 216.321
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    月桂酸甲酯 methyl laurate 111-82-0 C13H26O2 214.348
    —— methyl 12-aminododecanoate 53005-24-6 C13H27NO2 229.363
    11-十二碳炔酸甲酯 11-dodecynoic acid methyl ester 24567-43-9 C13H22O2 210.316
    月桂酸甲酯 methyl 11-dodecenoate 29972-79-0 C13H24O2 212.332
    —— methyl 12-iodododecanoate 86374-36-9 C13H25IO2 340.245
    环十五内酯 pentadecanolide 106-02-5 C15H28O2 240.386
    —— methyl 12-(methylthio)dodecanoate 1161364-42-6 C14H28O2S 260.441
    —— 11-dodecynoic acid ethyl ester 108545-41-1 C14H24O2 224.343
    —— Methyl 12-(octadecyltellanyl)dodecanoate 88116-35-2 C31H62O2Te 594.432
    —— methyl 12-azidododecanoate 110544-78-0 C13H25N3O2 255.36
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    12-溴十二酸甲酯氢氧化钾乙二醇 作用下, 生成 2,2-diphenyl-tetradecanedioic acid dimethyl ester
    参考文献:
    名称:
    Salmon-Legagneur et al., Bulletin de la Societe Chimique de France, 1957, p. 1463,1467
    摘要:
    DOI:
  • 作为产物:
    描述:
    12-羟基十二酸吡啶硫酸四丁基溴化铵 作用下, 以 四氢呋喃 为溶剂, 反应 17.0h, 生成 12-溴十二酸甲酯
    参考文献:
    名称:
    Bidd, Ilesh; Kelly, David J.; Ottley, Peter M., Journal of the Chemical Society. Perkin transactions I, 1983, # 7, p. 1369 - 1372
    摘要:
    DOI:
  • 作为试剂:
    描述:
    12-溴十二酸甲酯sodium methansulfinate碘化钠magnesium sulfate12-溴十二酸甲酯 作用下, 以 甲醇 为溶剂, 反应 7.0h, 以an off-white solid was obtained (0.54 g, 25%) which的产率得到methyl 12-(methylsulfonyl)dodecanoate
    参考文献:
    名称:
    INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA
    摘要:
    本发明涉及使用化合物作为广谱细菌生物膜形成的抑制剂。具体而言,本发明涉及一系列化合物,能够阻断革兰氏阴性和革兰氏阳性细菌的群体感应系统,一种制造它们的方法,含有它们的制药组合物以及它们用于治疗和预防细菌损害和疾病的用途,特别是对于需要抑制病原体的群体感应调节表型的疾病有优势的情况。
    公开号:
    US20090192192A1
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文献信息

  • Synthesis and Biological Activities of Acetylenic Fatty Acids and Their Esters
    作者:Munehiro Nakatani、Yuji Fukunaga、Hiroyuki Haraguchi、Makoto Taniguchi、Tsunao Hase
    DOI:10.1246/bcsj.59.3535
    日期:1986.11
    Eight terminal acetylenic fatty acids from 5-hexynoic to 12-tridecynoic acids and their methyl, ethyl, and isopropyl esters were synthesized via o-nitrophenyl selenides. These acids and esters all showed inhibitory effect on lettuce seed germination and seedling growth. The effect was dependent on the number of carbon atoms in acetylenic chain. 8-Nonynoic acid showed potent activity, and its methyl ester was the most effective among the test compounds. In addition, the acids showed antifungal activity which increased as the number of carbon atoms increased.
    通过邻硝基苯硒醚合成了 8 种末端炔脂肪酸:从 5-己炔酸到 12-十三炔酸及其甲基、乙基和异丙基酯。这些酸和酯对莴苣种子萌发和幼苗生长均有抑制作用。其作用效果依赖于炔链碳原子数。8-壬炔酸具有强烈的活性,其甲酯在所测试样品中活性最强。此外,这些酸具有抗菌活性,且随碳原子数的增加而增强。
  • Structure-antitumor Activity Relationship of Semi-synthetic Spicamycin Derivatives.
    作者:TERUYUKI SAKAI、HIROYUKI KAWAI、MASARU KAMISHOHARA、ATSUO ODAGAWA、AKASHI SUZUKI、TAKESHI UCHIDA、TOMIKO KAWASAKI、TAKASHI TSURUO、NOBORU OTAKE
    DOI:10.7164/antibiotics.48.1467
    日期:——
    New derivatives of spicamycin modified at the fatty acid moieties of the molecule were synthesized and their structure-activity relationships were examined. The antitumor activity was greatly influenced by modification of the fatty acid moieties to tetradecadienoyl or dodecadienoyl analogues exhibiting better antitumor activity against COL-1 human colon cancer xenograft than SPM VIII.
    新合成了一系列在分子脂肪酸部分进行了修饰的斯匹卡霉素衍生物,并研究了它们的构效关系。通过对脂肪酸部分进行修饰,将其转化为十四碳二烯酸或十二碳二烯酸类似物,这些衍生物对COL-1人结肠癌异种移植模型的抗肿瘤活性显著优于SPM VIII。
  • [EN] COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS<br/>[FR] COMPOSÉS ET COMPOSITIONS D'ADMINISTRATION INTRACELLULAIRE D'AGENTS THÉRAPEUTIQUES
    申请人:MODERNATX INC
    公开号:WO2018170306A1
    公开(公告)日:2018-09-20
    The disclosure features novel lipids and compositions involving the same. Nanoparticle compositions include a novel lipid as well as additional lipids such as phospholipids, structural lipids, and PEG lipids. Nanoparticle compositions further including therapeutic and/or prophylactics such as RNA are useful in the delivery of therapeutic and/or prophylactics to mammalian cells or organs to, for example, regulate polypeptide, protein, or gene expression.
    该披露涉及新型脂质和相关组合物。纳米粒子组合物包括一种新型脂质以及额外的脂质,如磷脂、结构脂质和PEG脂质。纳米粒子组合物还包括治疗和/或预防措施,如RNA,在将治疗和/或预防措施传递给哺乳动物细胞或器官方面非常有用,例如,调节多肽、蛋白质或基因表达。
  • [EN] COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR L'ADMINISTRATION INTRACELLULAIRE D'AGENTS
    申请人:MODERNATX INC
    公开号:WO2018232120A1
    公开(公告)日:2018-12-20
    The disclosure features amino lipids and compositions involving the same. Nanoparticle compositions include an amino lipid as well as additional lipids such as phospholipids, structural lipids, PEG lipids, or a combination thereof. Nanoparticle compositions further including therapeutic and/or prophylactic agents such as RNA are useful in the delivery of therapeutic and/or prophylactic agents to mammalian cells or organs to, for example, regulate polypeptide, protein, or gene expression.
    该披露涉及氨基脂质和包含氨基脂质的组合物。纳米粒子组合物包括氨基脂质以及额外的脂质,如磷脂、结构脂质、PEG脂质或二者的组合。纳米粒子组合物还包括治疗和/或预防剂,如RNA,可用于将治疗和/或预防剂传递到哺乳动物细胞或器官,例如,调节多肽、蛋白质或基因表达。
  • Organotin reagents supported on ionic liquid: highly efficient catalytic free radical reduction of alkyl halides
    作者:Phuoc Dien Pham、Stéphanie Legoupy
    DOI:10.1016/j.tetlet.2009.04.059
    日期:2009.7
    Ionic liquid-supported organotin reagents were prepared in good yield and demonstrated a convenient catalytic free radical reduction of alkyl halides. A variety of alkyl and aryl halides could be reduced in high to excellent yields and selectively to afford the desired products with simple work-up procedure.
    离子液体负载的有机锡试剂的制备得率很高,并证明了烷基卤化物的催化自由基还原很方便。可以将各种烷基和芳基卤化物以高产率还原至优异的收率,并通过简单的后处理步骤选择性地提供所需的产物。
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