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2-乙氧基苯甲酰胺 | 938-73-8

2-乙氧基苯甲酰胺
2-Ethoxybenzamide
938-73-8
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-乙氧基苯甲酰胺结构式
87569504
简介
2-Ethoxybenzamide广泛用作解热止痛药。
名称和标识符
MDL MFCD00007977
InChIKey SBNKFTQSBPKMBZ-UHFFFAOYSA-N
Inchi 1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
SMILES O=C(C1C(OCC)=CC=CC=1)N
BRN 2208582
别名信息
- 中文别名 -
  • 2-乙氧基苯甲酰胺
  • 乙柳酰胺
  • 邻乙氧基苯甲酰胺
  • 乙水杨胺
  • 2-Ethoxybenzamide 2-乙氧基苯甲酰胺
  • 2-乙氧苯甲酰胺
  • 2-乙氧基苯甲酰胺 乙基水杨酰胺 止痛灵
  • 2-乙氧基苯甲酰胺标准品(JP)
  • 乙基水杨胺
  • 止痛灵
- 英文别名 -
  • 2-Ethoxybenzamide
  • Ethenzamide
  • Ethoxybenzamine
  • 2-Ethoxybenzamine
  • o-Ethoxybenzamide
  • 2-Aethoxy-benzamid
  • 2-Aethoxy-benzoesaeure-amid
  • 2-ethoxy-benzoic acid amide
  • Aethylaethersalicylsaeure-amid
  • Benzamide,2-ethoxy
  • Etamide
  • Etenzamide
  • Ethbenzamide
  • Ethosalicyl
  • O-Aethyl-salicylamid
  • Pirosolvina
  • 2-Ethoxybenzoylamide
  • Benzamide, 2-ethoxy-
  • Ethenzamid
  • Anovigam
  • Trancalgyl
  • Protopyrin
  • Katagrippe
  • Etosalicyl
  • Etosalicil
  • Lucamide
  • Etocil
  • Eusal
  • Benzamide, o-ethoxy-
  • Etenzamide [DCIT]
  • Etenzamida [INN-Spanish]
  • Ethenzamidum [INN-Latin]
  • 2-Eethoxybenzamide
  • H.P. 209
  • L929ZCK4BF
  • SBNKFTQSBPKMBZ-UHFFFAOYSA-N
  • DSSTox_C
  • 2-Ethoxybenzamide (ACI)
  • Benzamide, o-ethoxy- (6CI, 7CI, 8CI)
  • NSC 28787
物化性质
实验特性
LogP 1.88450
PSA 52.32000
Merck 3731
折射率 1.5620 (estimate)
水溶性 <0.1 g/100 mL at 16 ºC
沸点 302°C at 760 mmHg
熔点 130.0 to 134.0 deg-C
闪点 153.7 °C
颜色与性状 白色或类白色结晶性粉末,几乎无臭,无味。
溶解性 易溶于氯仿、乙醇、丙酮,难溶于水、乙醚。
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 3
同位素质量 165.078979
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) 1.2
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 52.3
国际标准相关数据
EINECS 9124
海关数据
海关编码 29242995
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:
Green method and system for preparation of amide compounds from nitrile compounds
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Method for preparation of primary and secondary amide compounds from N-substituted amide compounds adopting dichloro(p-cymene)ruthenium (II) dimer complex as catalyst
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Ruthenium(II)-catalyzed reductive N-O bond cleavage of N-OR (R = H, alkyl, or acyl) substituted amides and sulfonamides
You, Tingjie; Zhang, Maosheng; Chen, Jianhui; Liu, Hongmei; Xia, Yuanzhi, Organic Chemistry Frontiers, 2021, 8(1), 112-119

合成路线:1 步

反应条件:
参考文献:
Studies on improving the process yield and purity of o-ethoxybenzamide
Falkowski, Cezariusz; Glazer, Krzysztof; Gaca, Jerzy, Przemysl Chemiczny, 2006, 85(8-9), 584-586

合成路线:1 步

反应条件:
参考文献:
Process of preparing o-ethoxybenzamide
, Poland, , ,

合成路线:1 步

反应条件:
参考文献:
Ti-superoxide catalyzed oxidative amidation of aldehydes with saccharin as nitrogen source: synthesis of primary amides
Kamble, Rohit B.; Mane, Kishor D.; Rupanawar, Bapurao D.; Korekar, Pranjal; Sudalai, A.; et al, RSC Advances, 2020, 10(2), 724-728

合成路线:1 步

反应条件:
参考文献:
Preparation of Primary Amides from Functionalized Organozinc Halides
Schade, Matthias A.; Manolikakes, Georg; Knochel, Paul, Organic Letters, 2010, 12(16), 3648-3650

合成路线:1 步

反应条件:
参考文献:
Hofmann Rearrangement of Carboxamides Mediated by N-Bromoacetamide
Jevtic, Ivana I.; Dosen-Micovic, Ljiljana; Ivanovic, Evica R.; Ivanovic, Milovan D., Synthesis, 2016, 48(10), 1550-1560

合成路线:1 步

参考文献:
Auxiliary-directed etherification of sp2 C-H bonds under heterogeneous metal-organic framework catalysis: synthesis of ethenzamide
Tran, Chau B.; Duong, Xuan N. T.; Lu, Huy D.; Cao, Thu T. V.; Truong, Thanh, RSC Advances, 2018, 8(5), 2829-2836

合成路线:1 步

反应条件:
参考文献:
Highly efficient dehydrogenative cross-coupling of aldehydes with amines and alcohols
Deshidi, Ramesh; Rizvi, Masood Ahmad; Shah, Bhahwal Ali, RSC Advances, 2015, 5(110), 90521-90524

合成路线:1 步

反应条件:
参考文献:
Catalytic synthesis of ethenzamide
Li, Ji-Peng; He, Zi-Yi, Zhongguo Yiyao Gongye Zazhi, 2000, 31(2),

合成路线:1 步

反应条件:
参考文献:
Copper-Catalyzed Self-Condensation of Benzamide: Domino Reactions towards Quinazolinones
Sayyad, Nisar; Cele, Zamani; Aleti, Rajeshwar Reddy; Bera, Milan; Cherukupalli, Srinivasulu; et al, European Journal of Organic Chemistry, 2018, 2018(39), 5382-5388

合成路线:1 步

反应条件:
参考文献:
Transition-Metal-Free Hydration of Nitriles Using Potassium tert-Butoxide under Anhydrous Conditions
Midya, Ganesh Chandra; Kapat, Ajoy; Maiti, Subhadip; Dash, Jyotirmayee, Journal of Organic Chemistry, 2015, 80(8), 4148-4151

合成路线:1 步

反应条件:
参考文献:
Palladium-Catalyzed One-Pot Conversion of Aldehydes to Amides
Ali, Ashif Md.; Punniyamurthy, Tharmalingam, Advanced Synthesis & Catalysis, 2010, 352, 288-292

合成路线:1 步

反应条件:
参考文献:
Hydration of Nitriles Catalyzed by Ruthenium Complexes: Role of Dihydrogen Bonding Interactions in Promoting Base-Free Catalysis
Yadav, Samanta; Gupta, Rajeev, Inorganic Chemistry, 2022, 61(39), 15463-15474

合成路线:1 步

反应条件:
参考文献:
A selective hydration of nitriles catalyzed by a Pd(OAc)2-based system in water
Sanz Sharley, Daniel D.; Williams, Jonathan M. J., Tetrahedron Letters, 2017, 58(43), 4090-4093

合成路线:1 步

反应条件:
参考文献:
A new facet of amide synthesis by tandem acceptorless dehydrogenation of amines and oxygen transfer of DMSO
Nie, Xufeng; Wang, Mei; Fu, Yihua; Xu, Jiaqi ; Zheng, Xueli; et al, Journal of Catalysis, 2023, 417, 153-163

合成路线:1 步

反应条件:
参考文献:
Efficient Hydration of Nitriles Promoted by Gallic Acid Derived from Renewable Bioresources
Deng, Tao; Wang, Cheng-Zhang, ChemCatChem, 2017, 9(7), 1349-1353

合成路线:1 步

反应条件:
参考文献:
Visible Light-Induced Iodine-Catalyzed Transformation of Terminal Alkynes to Primary Amides via CC Bond Cleavage under Aqueous Conditions
Dighe, Shashikant U.; Batra, Sanjay, Advanced Synthesis & Catalysis, 2016, 358(3), 500-505

合成路线:1 步

反应条件:
参考文献:
Base-promoted nucleophilic fluoroarenes substitution of C-F bonds
Su, Ji; Chen, Qian; Lu, Le; Ma, Yuan; Auyoung, George Hong Lok; et al, Tetrahedron, 2018, 74(2), 303-307
相关文献
专业数据库参考
PubChemId 87569504
参考资料
Reaxys RN 2208582
Beilstein 10,93
产品用途
用作解热镇痛药,用于治疗发热、头痛、神经痛、关节痛、类风湿性关节炎、牙痛、痛经等病症
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