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2-乙酰氨基苯甲醚 | 93-26-5

2-乙酰氨基苯甲醚
N-(2-Methoxyphenyl)acetamide
93-26-5
C9H11NO2
165.189142465591
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-乙酰氨基苯甲醚结构式
87561721
名称和标识符
MDL MFCD00026117
InChIKey FGOFNVXHDGQVBG-UHFFFAOYSA-N
Inchi 1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
SMILES O=C(C)NC1C(OC)=CC=CC=1
BRN 2091808
别名信息
- 中文别名 -
  • 2-乙酰氨基苯甲醚
  • 邻甲氧基乙酰苯胺
  • 邻乙酰氨基苯甲醚
  • o-Acetanisidide 邻乙酰氨基苯甲醚
  • 邻-甲氧基乙酰苯胺
  • N-乙酰邻甲氧基苯胺
  • 鄰甲氧-N-乙醯苯胺
- 英文别名 -
  • N-(2-Methoxyphenyl)acetamide
  • o-Acetanisidide
  • o-Methoxyacetanilide
  • o-Acetanisidine
  • 2-Methoxyacetanilide
  • 2'-Methoxyacetanilide
  • Acetamide, N-(2-methoxyphenyl)-
  • Acetanilide, 2'-methoxy-
  • Acetyl-O-anisidine
  • N-Acetyl-o-anisidine
  • 2-ACETAMIDOANISOLE
  • Acetamide, N-(methoxyphenyl)-
  • N-ACETYL-ORTHO-ANISIDINE
  • FGOFNVXHDGQVBG-UHFFFAOYSA-N
  • N-(2-METHOXYPHENYL) ACETAMIDE
  • Q63392790
  • Aceto-o-anisidine
  • NSC4004
  • PubChem3319
  • N-acetyl-2-anisidine
  • 2-(Acetyla
  • N-(2-Methoxyphenyl)acetamide (ACI)
  • o-Acetanisidide (6CI, 7CI, 8CI)
  • 2-(Acetylamino)anisole
  • 2-Acetamidoanisole
  • 2-N-Acetylaminomethoxybenzene
  • 2′-Methoxyacetanilide
  • N-Acetyl-2-methoxyaniline
  • NSC 4004
物化性质
实验特性
LogP 1.72660
PSA 38.33000
折射率 1.5839 (estimate)
沸点 303-305 °C(lit.)
熔点 85.0 to 89.0 deg-C
闪点 138
FEMA 2768
颜色与性状 Powder
密度 1.1603 (rough estimate)
计算特性
精确分子量 165.07900
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 2
同位素质量 165.079
重原子数量 12
复杂度 159
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) 1.1
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 38.3
国际标准相关数据
EINECS 4004
海关数据
海关编码 2924299090
海关数据

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Silica gel-promoted synthesis of amide by rearrangement of oxime under visible light
Shen, Qing; Peng, Xiaoyan; Chen, Dan; Liu, Yutong; Jiang, Hezhong; et al, Tetrahedron Letters, 2023, 114,

合成路线:1 步

反应条件:
参考文献:
Cyanuric Chloride as a Mild and Active Beckmann Rearrangement Catalyst
Furuya, Yoshiro; Ishihara, Kazuaki; Yamamoto, Hisashi, Journal of the American Chemical Society, 2005, 127(32), 11240-11241

合成路线:1 步

反应条件:
参考文献:
Aerobic oxidative coupling of alcohols and amines over Au-Pd/resin in water: Au/Pd molar ratios switch the reaction pathways to amides or imines
Zhang, Leilei; Wang, Wentao; Wang, Aiqin; Cui, Yitao; Yang, Xiaofeng; et al, Green Chemistry, 2013, 15(10), 2680-2684

合成路线:1 步

反应条件:
参考文献:
Nickel ion-containing DABCO based ionic liquid: an efficient catalyst for the convenient chemoselective reduction of nitroarenes, N-acetylation of arylamines, and one-pot reductive acetylation of nitroarenes
Seyedi, Narges; Shirini, Farhad ; Tajik, Hassan, Journal of Molecular Structure, 2023, 1285,

合成路线:1 步

反应条件:
参考文献:
The Reaction of Ketoximes with Hypervalent Iodine Reagents: Beckmann Rearrangement and Hydrolysis to Ketones
Maegawa, Tomohiro ; Oishi, Ryohei; Maekawa, Ayumi; Segi, Kazutoshi; Hamamoto, Hiromi; et al, Synthesis, 2022, 54(18), 4095-4103

合成路线:1 步

反应条件:
参考文献:
Hypervalent Iodine-Mediated Beckmann Rearrangement of Ketoximes
Oishi, Ryohei; Segi, Kazutoshi; Hamamoto, Hiromi; Nakamura, Akira ; Maegawa, Tomohiro ; et al, Synlett, 2018, 29(11), 1465-1468

合成路线:1 步

反应条件:
参考文献:
Pd-Catalyzed Intermolecular Amidation of Aryl Halides: The Discovery that Xantphos Can Be Trans-Chelating in a Palladium Complex
Yin, Jingjun; Buchwald, Stephen L., Journal of the American Chemical Society, 2002, 124(21), 6043-6048

合成路线:1 步

反应条件:
参考文献:
The stable ''F-SO2+'' donor provides a mild and efficient approach to nitriles and amides
Cui, Yin; Zhao, Yiyong; Shen, Junjie; Zhang, Guofu; Ding, Chengrong, RSC Advances, 2022, 12(51), 33064-33068

合成路线:1 步

反应条件:
参考文献:
Novel periodic mesoporous silica chlorides (PMSCl) with 2D P6mm hexagonal structures: efficient catalysts for the Beckmann rearrangement
Karimi, Babak; Behzadnia, Hesam, Synlett, 2010, (13), 2019-2023

合成路线:1 步

反应条件:
参考文献:
A mild and highly efficient catalyst for Beckmann rearrangement, BF3.OEt2
An, Na; Pi, Hongjun; Liu, Lifeng; Du, Wenting; Deng, Weiping, Chinese Journal of Chemistry, 2011, 29(5), 947-950

合成路线:1 步

反应条件:
参考文献:
Beckmann rearrangement of oximes catalyzed by cyanuric chloride in ionic liquids
Betti, Cecilia; Landini, Dario; Maia, Angelamaria; Pasi, Maurizio, Synlett, 2008, (6), 908-910

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted synthesis of nano-sized cadmium oxide as a new and highly efficient catalyst for solvent free acylation of amines and alcohols
Mazaheritehrani, M.; Asghari, J.; Orimi, R. Lotfi; Pahlavan, S., Asian Journal of Chemistry, 2010, 22(4), 2554-2564

合成路线:1 步

反应条件:
参考文献:
SO2F2-Activated Efficient Beckmann Rearrangement of Ketoximes for Accessing Amides and Lactams
Zhang, Guofu; Zhao, Yiyong; Xuan, Lidi; Ding, Chengrong, European Journal of Organic Chemistry, 2019, 2019(30), 4911-4915

合成路线:1 步

反应条件:
参考文献:
Monoprotected L-Amino Acid (L-MPAA), Accelerated Bromination, Chlorination, and Iodination of C(sp2)-H Bonds by Iridium(III) Catalysis
Kathiravan, Subban ; Nicholls, Ian A., Chemistry - A European Journal, 2017, 23(29), 7031-7036

合成路线:1 步

反应条件:
参考文献:
Pd-Catalyzed C-H activation/oxidative cyclization of acetanilide with norbornene: concise access to functionalized indolines
Gao, Yang; Huang, Yubing; Wu, Wanqing; Huang, Kefan; Jiang, Huanfeng, Chemical Communications (Cambridge, 2014, 50(61), 8370-8373

合成路线:1 步

反应条件:
参考文献:
Zirconyl triflate: a new, highly efficient and reusable catalyst for acetylation and benzoylation of alcohols, phenols, amines and thiols with acetic and benzoic anhydrides
Moghadam, M.; Tangestaninejad, S.; Mirkhani, V.; Mohammadpoor-Baltork, I.; Babaghanbari, M.; et al, Journal of the Iranian Chemical Society, 2009, 6(3), 523-532

合成路线:1 步

反应条件:
参考文献:
BODIPY Photocatalyzed Beckmann Rearrangement and Hydrolysis of Oximes under Visible Light
Peng, Xiaoyan; liu, Yutong; Shen, Qing; Chen, Dan; Chen, Xueqin; et al, Journal of Organic Chemistry, 2022, 87(18), 11958-11967

合成路线:1 步

反应条件:
参考文献:
Morphology of ZnO triggered versatile catalytic reactions towards CO2 fixation and acylation of amines at optimized reaction conditions
Sahoo, Atanu; Chowdhury, Arpita Hazra; Singha, Pintu; Banerjee, Aritra; Manirul Islam, Sk.; et al, Molecular Catalysis, 2020, 493,

合成路线:1 步

反应条件:
参考文献:
Cyclopropenium ion catalysed Beckmann rearrangement
Srivastava, Vishnu P.; Patel, Rajesh; Garima; Yadav, Lal Dhar S., Chemical Communications (Cambridge, 2010, 46(31), 5808-5810

合成路线:1 步

反应条件:
参考文献:
Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions
Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C., Organic & Biomolecular Chemistry, 2022, 20(12), 2392-2396
专业数据库参考
PubChemId 87561721
参考资料
Reaxys RN 2091808
Beilstein O159959
化合物详情(旧版)

SMILES

CC(=O)NC1C(OC)=CC=CC=1

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