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8-溴-1-萘甲酸甲酯 | 38058-95-6

中文名称
8-溴-1-萘甲酸甲酯
中文别名
——
英文名称
8-bromo-1-naphthoic acid methyl ester
英文别名
Methyl 8-bromonaphthalene-1-carboxylate
8-溴-1-萘甲酸甲酯化学式
CAS
38058-95-6
化学式
C12H9BrO2
mdl
MFCD09833148
分子量
265.106
InChiKey
HIEUZGKQGFFELW-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:
    357.0±15.0 °C(Predicted)
  • 密度:
    1.492±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.7
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.083
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2916399090

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
  • 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:
    描述:
    8-溴-1-萘甲酸甲酯sodium hydroxide 作用下, 以 甲苯 为溶剂, 生成 8-(2-carboxy-phenyl)-[1]naphthoic acid
    参考文献:
    名称:
    Craig,J.T., Australian Journal of Chemistry, 1966, vol. 19, p. 1927 - 1934
    摘要:
    DOI:
  • 作为产物:
    参考文献:
    名称:
    23.反应性围取代的萘。第一部分。亚硫酰卤取代8-硝基-1-萘甲酸中的硝基以形成8-氯和8-溴-萘甲酸
    摘要:
    DOI:
    10.1039/jr9320000175
点击查看最新优质反应信息

文献信息

  • [EN] TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS<br/>[FR] COMPOSÉS HÉTÉROBIFONCTIONNELS TRICYCLIQUES POUR LA DÉGRADATION DE PROTÉINES CIBLÉES
    申请人:C4 THERAPEUTICS INC
    公开号:WO2022081928A1
    公开(公告)日:2022-04-21
    Heterobifunctional compounds for targeted protein degradation that include a tricyclic cereblon binder linked to an appropriate protein targeting ligand to degrade a targeted disease-mediating protein of interest are provided.
    本发明提供了用于靶向蛋白降解的异双功能化合物,其中包括一个三环Cereblon结合剂,连接到一个适当的蛋白靶向配体,以降解感兴趣的靶向疾病介导蛋白质。
  • [EN] ANTI-TUMOUR COMPOUNDS<br/>[FR] COMPOSES ANTITUMORAUX
    申请人:UNIV TROBE
    公开号:WO2002030906A1
    公开(公告)日:2002-04-18
    A compound of formula (II) in which positional numbering, where mentioned, refers to the system illustrated above, and one or more W and one or more U are attached to a ring carbon or carbons at any of positions 1-11 or to a ring nitrogen at position 7 if present, and in which: W is C(=Q)NRCHJ(CH2)nR1 where Q is O or S, R is hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, J is H or a C1-C6 alkyl group optionally substituted with OH, OMe, NH2, NHMe or NMe2 functions, R?1¿ is C(=NR2)NH2, NHC(=NR3)NH2 or NR4R5, where each of R?2 and R3¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, and R?4 and R5¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, or R?4 and R5¿ together with the nitrogen atom to which they are attached form an optionally substituted saturated or unsaturated heterocyclic group; and n is an integer from 0 to 5; X, Y, V are independently CH or N; Z is CH¿2?, CH-C1-4 alkyl, CO, O, S, SO, SO2, N-C1-4 alkyl or NH; and U is H, halo, OH, CO2H, NR?6R7¿, nitro, cyano, C¿1-6? alkyl, C1-6 haloalkyl, C1-6 alkoxy, C1-6 haloalkoxy, C1-6 aminoalkyl or C1-6 aminoalkoxy in which R?6 and R7¿ have the same definitions as R?4 and R5¿ above; or a pharmaceutically-acceptable salt, N-oxide, hydrate, solvate, pharmaceutically acceptable derivative, pro-drug, tautomer or isomer thereof, with the proviso that W at position 4 cannot be CONH(CH¿2?)2NMe2, CONH(CH2)2NEt2, CONH(CH2)3NMe2, CONH(CH2)3NEt2, CONH(CH2)2Npiperidyl, or CONH(CH2)2Nmorpholinyl, when X and Y are N, V is CH, U is H and Z is CO. 'Bis' compounds and carboxylic acid precursors are also claimed. The compounds are useful in the treatment of neoplastic conditions such as cancer.
    式(II)的化合物,其中位置编号(如有提及)是指上述系统,其中一个或多个W和一个或多个U附加到任何1-11位置的环碳或碳上,或附加到7号位置的环氮(如存在),其中:W是C(=Q)NRCHJ(CH2)nR1,其中Q为O或S,R为氢或可选地取代一个或多个OH或NH2基团的C¿1-4?烷基,J为H或可选地取代OH,OMe,NH2,NHMe或NMe2功能的C1-C6烷基,R?1¿为C(=NR2)NH2,NHC(=NR3)NH2或NR4R5,其中R?2和R3¿各自独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4?烷基,而R?4和R5¿独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4?烷基,或者R?4和R5¿与它们附着的氮原子一起形成可选地取代的饱和或不饱和杂环基团;n是0到5的整数;X,Y,V各自独立地为CH或N;Z为CH¿2?,CH-C1-4烷基,CO,O,S,SO,SO2,N-C1-4烷基或NH;U为H,卤素,OH,CO2H,NR?6R7¿,硝基,氰基,C¿1-6?烷基,C1-6卤代烷基,C1-6烷氧基,C1-6卤代烷氧基,C1-6氨基烷基或C1-6氨基烷氧基,其中R?6和R7¿与上述R?4和R5¿的定义相同;或其药学上可接受的盐,N-氧化物,水合物,药学上可接受的衍生物,前药,互变异构体,但在X和Y为N,V为CH,U为H,Z为CO时,位置4的W不能是CONH(CH¿2?)2NMe2,CONH(CH2)2NEt2,CONH(CH2)3NMe2,CONH(CH2)3NEt2,CONH(CH2)2Npiperidyl或CONH(CH2)2Nmorpholinyl。还声明了“双”化合物和羧酸前体。这些化合物在治疗癌症等肿瘤条件方面有用。
  • COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS
    申请人:Carter Michael D.
    公开号:US20100144821A1
    公开(公告)日:2010-06-10
    The invention is directed to compounds and methods for treating protein folder disorders. In certain embodiments the invention provides compounds and methods for treating neurodegenerative diseases such as Alzheimer's disease, tauopathy, cerebral amyloid angiopathy, Lewy body disease, dementia, Huntington's disease and prion-based spongiform encelopathy. The invention further provides compounds, methods and pharmaceutical compositions for inhibiting tau protein, Aβ protein or α-synuclein protein aggregation.
    本发明涉及化合物和方法,用于治疗蛋白质折叠障碍。在某些实施例中,本发明提供了治疗神经退行性疾病,如阿尔茨海默病、tau病、脑淀粉样血管病、Lewy体病、痴呆症、亨廷顿病和基于朊病毒海绵状脑病的化合物和方法。本发明还提供了化合物、方法和制药组合物,用于抑制tau蛋白、Aβ蛋白或α-突触核蛋白的聚集。
  • 一种含有亚甲基的多环共轭芳烃分子的制备方法和应用
    申请人:华东理工大学
    公开号:CN117447294A
    公开(公告)日:2024-01-26
    本发明提供了一种含有亚甲基的多环共轭芳香分子及其制备方法和在π‑电子分子磁体表面制备中的应用,涉及有机合成技术和表面合成领域。本发明提供的磁性前体分子具有式I、式Ⅱ、式Ⅲ、式Ⅳ所示的结构,式I中,所述R1、R2为烷基,如甲基等;或,R1、R2为氢;或,R1、R2为氰基;或,R1、R2为羧基;或,R1、R2为卤素,如溴、碘等。式Ⅱ中,所述R3、R4为氢或氰基;或,R3、R4为氢或羟基;或,R3、R4为氢或羧基;或,R3、R4为卤素,如溴、碘等。式Ⅲ中,所述R5为羟基;或,R5为三甲基硅烷基乙炔基;或,R5为乙炔基;或,R5为氰基;或,R5为羧基;或,R5为卤素,如溴、碘等。式Ⅳ中,所述R6为氰基;或,R6为羧基;或,R6为羟基;或,R6为卤素,如溴、碘等。本发明提供的含有亚甲基的多环共轭芳烃类分子稳定性好,能够在固体表面通过电场调控形成自旋态和磁交换耦合可调的π‑电子分子磁体,为进一步实现二维磁性材料的可控制备奠定基础。
  • Waldmann, Chemische Berichte, 1950, vol. 83, p. 171,177
    作者:Waldmann
    DOI:——
    日期:——
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