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芬那酸 | 91-40-7

芬那酸
Fenamic acid
91-40-7
C13H11NO2
213.231943368912
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:芬那酸结构式
芬那酸MSDS
4386
芬那酸价格
简介
化学品,英文名称:N-Phenylanthranilic acid
EINECS:202-066-8
分子式:C13H11NO2
分子量:213.23
名称和标识符
MDL MFCD00002421
InChIKey ZWJINEZUASEZBH-UHFFFAOYSA-N
Inchi 1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
SMILES O=C(C1C(NC2C=CC=CC=2)=CC=CC=1)O
BRN 1456607
别名信息
- 中文别名 -
  • 芬那酸
  • 钒试剂
  • N-苯基氨茴酸
  • N-苯基邻氨基苯甲酸
  • N-苯基邻氨基苯甲酸(钒试剂)
  • (钒试剂)苯基邻-氨基苯甲酸
  • (钒试剂)苯基邻-氨基苯甲酸,AR
  • N-Phenylanthranilic Acid N-苯基邻氨基苯甲酸
  • Nα-苄氧羰基-L-组氨酸
  • N-苯基代邻氨基苯甲酸
  • N-苯基蒽酸
  • 苯基邻-氨基苯甲酸(钒试剂),AR
  • 芬那酸 钒试剂
  • 2-(苯基氨基)苯甲酸
  • 2-苯氨基苯甲酸
  • N-苯基代邻位氨基苯酸
  • 苯代邻氨基苯甲酸
  • 苯基代邻氨基苯甲酸
  • 二苯胺-2-羧酸
  • 芬那酸,N-苯基氨茴酸,苯基邻-氨基苯甲酸
  • 邻苯胺苯甲酸
  • 2-(苯氨基)苯甲酸
  • 甲芬那酸
- 英文别名 -
  • N-Phenylanthranilic acid
  • Diphenylamine-2-carboxylic acid
  • N-Phenyl 2-Aminobenzoic Acid
  • Benzoic acid, 2-(phenylamino)-
  • N-Phenyl o-aminobenzoic acid
  • 2-anilinobenzoic acid
  • DPC
  • 2-(Phenylamino)benzoic acid
  • Fenamic acid
  • Phenylanthranilic acid
  • 2-Carboxydiphenylamine
  • o-Anilinobenzoic acid
  • N-Phenyl-o-aminobenzoic acid
  • N-Phenyl-2-aminobenzoic acid
  • Anthranilic acid, N-phenyl-
  • 2-Phenylamino-benzoic acid
  • N-Phenylanthranilic
  • 952VN06WBB
  • ZWJINEZUA
  • NCGC00093536-04
  • CHEMBL23832
  • AKOS000118791
  • 2-phenylazanylbenzoic acid
  • KBio2_002302
  • FT-0631438
  • HMS3402H03
  • CBDivE_001949
  • HMS3373F04
  • MLS-0412242.P016
  • NCGC00014989-06
  • EINECS 202-066-8
  • diphenylamine carboxylate
  • NCGC00014989-02
  • NCGC00093536-02
  • PhenylanthranilsA currencyure
  • BCBcMAP01_000076
  • SY048561
  • NCGC00014989-07
  • ZWJINEZUASEZBH-UHFFFAOYSA-
  • HMS2232G15
  • SB78726
  • W-100309
  • F3145-3322
  • Z57127451
  • KBioSS_002304
  • AMY40863
  • BRN 1456607
  • N-PHENYLANTHRANILIC ACID [MI]
  • KBio3_000282
  • BIDD:GT0820
  • DPC cpd
  • Bio1_000122
  • DTXSID6059025
  • KBio2_004870
  • DS-14719
  • D03APP
  • SPECTRUM1505156
  • STK089446
  • Bio1_001100
  • NCGC00093536-06
  • LP00011
  • BB 0255314
  • ortho-anilinobenzoic acid
  • KBio2_007438
  • NCGC00093536-03
  • NSC-4273
  • KBio3_000281
  • N-phenylanthranilsyre
  • HMS1361H03
  • BRD-K80863915-001-02-9
  • EN300-18386
  • N-phenyl-ortho-aminobenzoic acid
  • phenyl anthranilic acid
  • NSC 215211
  • HY-W040265
  • 2-anilino-benzoic acid
  • SR-01000075342
  • KBioGR_002302
  • Bio1_000611
  • KBio2_000141
  • HMS1791H03
  • KBioGR_000141
  • o-(Phenylamino)benzoic acid
  • KBio2_002709
  • KBio3_002782
  • NSC-215211
  • SCHEMBL25828
  • A843855
  • D0873
  • CBiol_001836
  • N-phenylanthranilic acid
  • Tox21_500011
  • N-Phenylanthranilic acid, 98%
  • N-Phenylanthranilic acid, technical, >=95% (T)
  • NCGC00014989-05
  • GTPL4182
  • EU-0100011
  • BBL008122
  • Phenyl anthranilic acid (all isomers)
  • NCGC00093536-01
  • Lopac0_000011
  • D70372
  • NCGC00014989-03
  • CHEBI:34756
  • s5517
  • AE-641/02494034
  • Oprea1_622264
  • IDI1_033891
  • MLS-0412242
  • Bio2_000621
  • NCGC00014989-01
  • InChI=1/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
  • SR-01000075342-1
  • SDCCGMLS-0412242.P028
  • AI3-08880
  • NSC215211
  • BSPBio_001421
  • Diphenylamine-2-carboxylic acid
  • DPC
  • KBioSS_000141
  • SMR001230825
  • SR-01000075342-2
  • n-phenyl anthranilic acid
  • NCGC00014989-04
  • NSC4273
  • CS-W021005
  • NCGC00093536-05
  • 91-40-7
  • BRD-K80863915-001-05-2
  • HMS3260C03
  • HMS1989H03
  • LS-20563
  • Lopac-144509
  • MFCD00002421
  • cMAP_000012
  • KBio2_005277
  • SDCCGSBI-0050000.P002
  • Diphenylaminecarboxylic acid-(2)
  • Oprea1_414882
  • NCGC00014989-12
  • NCGC00260696-01
  • N-phenyl-anthranilic acid
  • BDBM50337278
  • NCGC00014989-08
  • UNII-952VN06WBB
  • diphenylamine-2-carboxylate
  • Bio2_000141
  • Q498436
  • MLS002153472
  • CCG-204107
  • 2-Anilinobenzoic acid
  • 2-Anilinobenzoic Acid
  • Diphenylamine-2-carboxylic Acid
  • 2-(Phenylamino)benzoic acid (ACI)
  • Anthranilic acid, N-phenyl- (6CI, 7CI, 8CI)
  • Diphenylamine-2-carboxylate
  • DPC (chloride channel inhibitor)
  • NSC 4273
  • o-Carboxydiphenylamine
物化性质
实验特性
LogP 3.20140
PSA 49.33000
Merck 7273
折射率 1.5700 (estimate)
水溶性 不溶
沸点 353.22°C (rough estimate)
熔点 182-185 °C (lit.)
闪点 186.7°C
FEMA 3470
颜色与性状 白色片状结晶。
溶解性  溶于热乙醇,微溶于热水、热苯及乙醚。
密度 1.1544 (rough estimate)
计算特性
精确分子量 213.07900
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 3
同位素质量 213.078979
重原子数量 16
复杂度 236
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) 4.4
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 49.3
国际标准相关数据
EINECS 215211
海关数据
海关编码 29224995
海关数据

中国海关编码:

2922499990

概述:

2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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:
Palladium-catalyzed coupling reaction of amino acids (esters) with aryl bromides and chlorides
Ma, Fangfang; et al, Tetrahedron, 2011, 67(48), 9405-9410

合成路线:1 步

反应条件:
参考文献:
Syntheses and Evaluation of New Bisacridine Derivatives for Dual Binding of G-Quadruplex and i-Motif in Regulating Oncogene c-myc Expression
Kuang, Guotao; et al, Journal of Medicinal Chemistry, 2020, 63(17), 9136-9153

合成路线:1 步

反应条件:
参考文献:
Design, Synthesis and Characterization of Aurone Based α,β-unsaturated Carbonyl-Amino Ligands and their Application in Microwave Assisted Suzuki, Heck and Buchwald Reactions
Khan, Danish ; et al, Asian Journal of Organic Chemistry, 2022, 11(1),

合成路线:1 步

反应条件:
参考文献:
The synthesis and antimicrobial evaluation of some spiro-phthalidyl benzoxazinones
Ferraro, Caterina; et al, Heterocycles, 2012, 84(2), 1383-1389

合成路线:1 步

反应条件:
参考文献:
Fast synthesis of substituted N-phenylanthranilic acids using Ullmann condensation under microwave irradiation in dry media
Martin, Ana; et al, Synthetic Communications, 2006, 36(3), 271-277

合成路线:1 步

反应条件:
参考文献:
A simple and environmentally friendly method for the synthesis of N-phenylanthranilic acid derivatives
Girisha, Hanakere R.; et al, Journal of Chemical Research, 2006, (5), 342-344

合成路线:1 步

反应条件:
参考文献:
PhI(OAc)2-Mediated Intramolecular Oxidative Aryl-Aldehyde Csp2-Csp2Bond Formation: Metal-Free Synthesis of Acridone Derivatives
Zheng, Zisheng; et al, Journal of Organic Chemistry, 2014, 79(16), 7451-7458

合成路线:1 步

反应条件:
参考文献:
"On Water" promoted N-arylation reactions using Cu(0)/myo-inositol catalytic system
Zhou, Qifan; et al, Tetrahedron Letters, 2019, 60(29), 1938-1941

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted chemoselective copper-catalyzed amination of o-chloro and o-bromobenzoic acids using aromatic amines under solvent free conditions
Sarrafi, Yaghoub; et al, Chinese Chemical Letters, 2009, 20(7), 784-788

合成路线:1 步

反应条件:
参考文献:
Synthesis of Acridone Derivatives Using Polymer-Supported Palladium and Scandium Catalysts
Nishio, Ryo; et al, Journal of Combinatorial Chemistry, 2006, 8(4), 459-461

合成路线:1 步

反应条件:
参考文献:
Microwave assisted synthesis of N-phenylanthranilic acids in water
Martin, Ana; et al, Journal of Chemical Research, 2005, (9), 561-563

合成路线:1 步

反应条件:
参考文献:
Regioselective copper-catalysed amination of halobenzoic acids using aromatic amines
Maradolla, Mohan Babu; et al, Journal of Chemical Research, 2007, (10), 587-589

合成路线:1 步

反应条件:
参考文献:
Design, synthesis and bioactivity evaluation of novel N-phenyl-substituted evodiamine derivatives as potent anti-tumor agents
Hao, Xiangyong; et al, Bioorganic & Medicinal Chemistry, 2022, 55,

合成路线:1 步

反应条件:
参考文献:
Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication
Barraza, Scott J.; et al, Bioorganic & Medicinal Chemistry, 2015, 23(7), 1569-1587

合成路线:1 步

反应条件:
参考文献:
Utilization of Aryl(TMP)iodonium Salts for Copper-Catalyzed N-Arylation of Isatoic Anhydrides: An Avenue to Fenamic Acid Derivatives and N,N'-Diarylindazol-3-ones
Saikia, Raktim Abha; et al, Journal of Organic Chemistry, 2023, 88(6), 3567-3581

合成路线:1 步

反应条件:
参考文献:
Copper-Catalyzed Electrophilic Arylation of Isatoic Anhydride with Diaryliodonium Salts for Synthesis of N-Phenylated Isatoic Anhydrides
Wu, Xi-Xi; et al, Asian Journal of Organic Chemistry, 2022, 11(7),

合成路线:1 步

反应条件:
参考文献:
Synthesis, structural characterization, and antimicrobial activity of novel ferrocene-N-acyl hydrazones designed by means of molecular simplification strategy Celebrating the 100th anniversary of the birth of Professor Paulo Freire
dos Santos Filho, Jose Mauricio; et al, Journal of Organometallic Chemistry, 2022, 979,

合成路线:1 步

反应条件:
参考文献:
Synthesis of Saturated 1,4-Benzodiazepines via Pd-Catalyzed Carboamination Reactions.
Neukom, Joshua D.; et al, Organic Letters, 2011, 13(9), 2196-2199

合成路线:1 步

反应条件:
参考文献:
Utilization of Aryl(TMP)iodonium Salts for Copper-Catalyzed N-Arylation of Isatoic Anhydrides: An Avenue to Fenamic Acid Derivatives and N,N'-Diarylindazol-3-ones
Saikia, Raktim Abha; et al, Journal of Organic Chemistry, 2023, 88(6), 3567-3581

合成路线:1 步

反应条件:
参考文献:
A new synthetic method of di-9-acridinyl derivatives of amines
Zhu, Yan-wu; et al, Hecheng Huaxue, 2002, 10(1), 65-67

合成路线:1 步

反应条件:
参考文献:
Sensitive determination of thiols in wine samples by a stable isotope-coded derivatization reagent d0/d4-acridone-10-ethyl-N-maleimide coupled with high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry analysis
Lv, Zhengxian; et al, Journal of Chromatography A, 2017, 1491, 98-107

合成路线:1 步

反应条件:
参考文献:
A novel route for progenitors of carbazoles with a view to study larvicidal properties
Choudhury, B.; et al, Journal of the Indian Chemical Society, 1988, 65(12), 876-8

合成路线:1 步

参考文献:
Product class 3: bromoarenes
Stanforth, S. P., Science of Synthesis, 2007, 31, 121-160
相关文献
专业数据库参考
PubChemId 4386
参考资料
Reaxys RN 1456607
Beilstein 1456607
产品用途
用作医药中间体
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