89691-67-8 (1-(2-溴-4-甲氧基苯基)乙酮,1-(2-Bromo-4-methoxy-phenyl)-ethanone)

CAS号:
89691-67-8
中文名称:
1-(2-溴-4-甲氧基苯基)乙酮
英文名称:
1-(2-Bromo-4-methoxy-phenyl)-ethanone
分子式:
C9H9BrO2
分子量:
229.070562124252

1-(2-溴-4-甲氧基苯基)乙酮(89691-67-8)名称与标识符

名称

中文别名:
1-(2-溴-4-甲氧基苯基)乙酮;
英文别名:
1-(2-Bromo-4-methoxyphenyl)ethanone;1-(2-BroMo-4-Methoxy-phenyl)-ethanone;Ethanone, 1-(2-bromo-4-methoxyphenyl)-;1-acetyl-2-bromo-4-methoxybenzene;2-Brom-4-methoxyacetophenon;2-bromo-4-methoxyacetophenone;2-bromo-p-methoxyacetophenone;3-bromo-4-methoxyacetophenone;p-Methoxybromoacetophenone;2'-bromo-4'-methoxyacetophenone;1-(2-bromo-4-methoxyphenyl)ethan-1-one;YCISNMVJZZPXBG-UHFFFAOYSA-N;1-(2-bromo-4-methoxyphenyl)-ethanone;NE11531;SY003342;ST50331370;Z1874954818;2 in;1-(2-Bromo-4-methoxyphenyl)ethanone (ACI);DA-31490;AC1208;EN300-126544;DTXSID00443115;CS-11030;Z454080406;C9H9BrO2;MFCD00465443;CS-0130358;AKOS010003643;SCHEMBL898467;2 inverted exclamation mark -Bromo-4 inverted exclamation mark -methoxyacetophenone;89691-67-8;

标识符

MDL:
MFCD00465443
InChIKey:
YCISNMVJZZPXBG-UHFFFAOYSA-N
Inchi:
1S/C9H9BrO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
SMILES:
O=C(C)C1C(Br)=CC(OC)=CC=1

1-(2-溴-4-甲氧基苯基)乙酮(89691-67-8)物化性质

实验特性

  • LogP : 2.66030
  • PSA : 26.30000

计算特性

  • 精确分子量 : 227.97900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 227.97859g/mol
  • 重原子数量 : 12
  • 复杂度 : 170
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 拓扑分子极性表面积 : 26.3

1-(2-溴-4-甲氧基苯基)乙酮(89691-67-8)推荐厂家 更多厂家(10)

1-(2-溴-4-甲氧基苯基)乙酮(89691-67-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis of dibenzo[fg,op]naphthacene derivatives
Cheng, Xiao-hong; Ye, Hui; Yang, Ji-ping, Jishou Daxue Xuebao, 2007, 28(2), 95-99
合成路线:1 步
反应条件:
参考文献:
Synthesis, X-ray structure and aggregation effect of tetramethoxy substituted dibenzo[fg,op]naphthacene
Cheng, Xiao-Hong; Fu, Chang-Jin, Chinese Journal of Chemistry, 2007, 25(11), 1762-1765
合成路线:1 步
反应条件:
参考文献:
Synthesis and Adsorption of Shape-Persistent Macrocycles Containing Polycyclic Aromatic Hydrocarbons in the Rigid Framework
Cheng, Xiaohong; Heyen, An Ver; Mamdouh, Wael; Uji-i, Hiroshi; De Schryver, Frans; et al, Langmuir, 2007, 23(3), 1281-1286
合成路线:1 步
反应条件:
参考文献:
Asymmetric Synthesis and Application of Chiral Spirosilabiindanes
Chang, Xin; Ma, Pei-Long; Chen, Hong-Chao; Li, Chuan-Ying; Wang, Peng, Angewandte Chemie, 2020, 59(23), 8937-8940
合成路线:1 步
反应条件:
参考文献:
Facile synthesis of 1-naphthols through a copper-catalyzed arylation of methyl ketones with o-bromoacetophenones
Lou, Zhen-Bang; Pang, Xin-Long; Chen, Chao; Wen, Li-Rong; Li, Ming, Chinese Chemical Letters, 2015, 26(10), 1231-1235
合成路线:1 步
反应条件:
参考文献:
Total synthesis of (±)-bruguierol A via an intramolecular [3+2] cycloaddition of cyclopropane 1,1-diester
Hu, Bao; Xing, Siyang; Ren, Jun; Wang, Zhongwen, Tetrahedron, 2010, 66(30), 5671-5674
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Nitrogen Atom Transfer to Isoquinolines via C-N Triple Bond Cleavage and Three-Component Cyclization
Su, Lebin; Xie, Shimin; Dong, Jianyu ; Liu, Feng; Yin, Shuang-Feng ; et al, Organic Letters, 2022, 24(32), 5994-5999
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed 6-endo-dig Cyclization-Coupling of 2-Bromoaryl Ketones and Terminal Alkynes toward Naphthyl Aryl Ethers in Water
Su, Lebin; Xie, Shimin; Dong, Jianyu ; Pan, Neng; Yin, Shuang-Feng; et al, Organic Letters, 2022, 24(25), 4569-4574
合成路线:1 步
反应条件:
参考文献:
Cu(I)-Catalyzed 6-endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties
Su, Lebin; Ren, Tianbing; Dong, Jianyu ; Liu, Lixin; Xie, Shimin; et al, Journal of the American Chemical Society, 2019, 141(6), 2535-2544
合成路线:1 步
反应条件:
参考文献:
Asymmetric synthesis of (-)-9-epi-metazocine
Chen, Qiang; Huo, Xing; Zheng, Huaiji; She, Xuegong, Synlett, 2012, 23(9), 1349-1352
合成路线:1 步
反应条件:
参考文献:
Direct synthesis of 1-naphthylamines enabled by 6-endo-dig cyclization strategy using copper catalysis
Ma, Peng ; Wang, Jianhui ; Liu, Guiyan, Applied Organometallic Chemistry, 2022, 36(6),
合成路线:1 步
反应条件:
参考文献:
Catalyst- and acid-free Markovnikov hydration of alkynes in a sustainable H2O/ethyl lactate system
Dandia, Anshu; Saini, Pratibha; Chithra, M. J.; Vennapusa, Sivaranjana Reddy; Parewa, Vijay, Journal of Molecular Liquids, 2021, 331,
合成路线:1 步
反应条件:
参考文献:
Synergic "Click" Boronate/Thiosemicarbazone System for Fast and Irreversible Bioorthogonal Conjugation in Live Cells
Akgun, Burcin; Li, Caishun; Hao, Yubin; Lambkin, Gareth; Derda, Ratmir ; et al, Journal of the American Chemical Society, 2017, 139(40), 14285-14291
合成路线:1 步
反应条件:
参考文献:
Air-stable μ2-hydroxyl bridged cationic binuclear complexes of zirconocene perfluorooctanesulfonates: their structures, characterization and application
Zhang, Xiaohong; Xu, Xinhua; Li, Ningbo; Liang, Zhiwu; Tang, Zilong, Tetrahedron, 2018, 74(15), 1926-1932
合成路线:1 步
反应条件:
参考文献:
Synthesis of benzofuran derivatives and their effect on promoting bone formation
Li, Rui-peng; Guo, Li; Zheng, Hu; Qi, Qing-rong, Huaxi Yaoxue Zazhi, 2015, 30(6), 631-634
合成路线:1 步
反应条件:
参考文献:
P2O5-mediated Friedel-Crafts acylation of activated arenes with carboxylic acid as acylating agent
Kalshetti, Rupali G.; Mandle, Ram D.; Kamble, Sanjay P.; Sudalai, Arumugam, Indian Journal of Chemistry, 2020, (12), 1861-1867
合成路线:1 步
反应条件:
参考文献:
Synthesis and structure of an air-stable μ2-hydroxy-bridged binuclear complex of bis(methylcyclopentadienyl)dizirconium(IV) perfluorooctanesulfonate and its application in Lewis acid-catalyzed reactions
Zhang, Xiaohong; Lou, Cong; Li, Ningbo; Xu, Xinhua; Qiu, Renhua; et al, Journal of Organometallic Chemistry, 2014, 749, 241-245

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