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2-萘甲酸 | 93-09-4

2-萘甲酸
naphthalene-2-carboxylic acid
93-09-4
C11H8O2
172.180023193359
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-萘甲酸结构式
2-萘甲酸MSDS
7123
2-萘甲酸价格
简介
2-Naphthoic acid 是一种生化试剂,可作为生物材料或有机化合物,用于生命科学相关研究。
名称和标识符
MDL MFCD00004101
InChIKey UOBYKYZJUGYBDK-UHFFFAOYSA-N
Inchi 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
SMILES O=C(C1C=C2C(C=CC=C2)=CC=1)O
BRN 972039
别名信息
- 中文别名 -
  • 2-萘甲酸
  • β-萘甲酸
  • 2-Naphthoic Acid 2-萘甲酸
  • 2-萘酸
- 英文别名 -
  • 2-Naphthoic acid
  • naphthalene-2-carboxylic acid
  • beta-naphthoic acid
  • beta-napthoic acid
  • 2-naphthalenecarboxylic acid
  • 2-carboxynaphthalene
  • 2-maythic acid
  • 2-naphthoic acid (beta)
  • 2-​Naphthoic Acid (2-Naphthalenecarboxylic Acid)
  • 2-napthoic acid
  • 2-Naphthoic acid (8CI)
  • 2-Carboxynaphthalene
  • 2-Maythic acid
  • 2-Naphthylcarboxylic acid
  • Isonaphthoic acid
  • NSC 59901
  • β-Naphthalenecarboxylic acid
  • β-Naphthoic acid
  • 2-Naphthalenecarboxylic Acid
  • 2-Naphthalenecarboxylic acid
  • 4-09-00-02414 (Beilstein Handbook Reference)
  • SCHEMBL98296
  • CHEBI:36106
  • AM80981
  • 2-Naphthoic Acid(2-Naphthalenecarboxylic Acid)
  • Z104475600
  • WLN: L66J CVQ
  • AC-5785
  • FT-0613119
  • NSC-59901
  • InChI=1/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13
  • 2-naphthyl carboxylic acid
  • ne-2-carboxylic acid
  • 2-naphthalene carboxylic acid
  • AKOS000119654
  • EINECS 202-217-8
  • MFCD00004101
  • EN300-19820
  • AI3-16903
  • Q27104331
  • D77680
  • 2-Naphthoic acid, 98%
  • NAPHTHALENE-2-CARBOXYLIC ACID
  • NS00014604
  • 2-Naphthioic acid
  • beta-Naphthoic acid
  • HY-W007437
  • UNII-QLG01V0W2L
  • BRN 0972039
  • Naphthalene-.beta.-carboxylic acid
  • 2-Naphthoic acid, >=97.0% (GC)
  • 2-Naphtoic acid
  • NSC59901
  • 2-naphthylcarboxylic acid
  • bmse000693
  • 2-?Naphthoic Acid
  • .beta.-Naphthoic acid
  • AE-508/40228340
  • DTXSID1059078
  • Naphthalene-beta-carboxylic acid
  • 2-NAPHTHOIC ACID [MI]
  • FS-3342
  • QLG01V0W2L
  • CHEMBL114648
  • N0025
  • F2191-0108
  • 93-09-4
  • MFCD0004101
  • Q-200310
  • CS-W007437
  • 2-Naphthoicacid
  • 2-Naphthoic acid,99%
物化性质
实验特性
LogP 2.53800
PSA 37.30000
Merck 6382
折射率 1.5520 (estimate)
水溶性 <0.5 g/L (20 C)
沸点 300 ºC
熔点 180-185 °C
185-187 °C (lit.)
蒸气压 6.63e-06 mmHg
闪点 205 ºC
FEMA 2723
溶解度 alcohol: soluble
颜色与性状 白色片状或针状结晶
PH值 4.5 (H2O, 20℃)
溶解性 溶于醚和醇,微溶于热水。
酸度系数(pKa) 4.17(at 25℃)
密度 1.08
计算特性
精确分子量 172.05200
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 1
同位素质量 172.05243
重原子数量 13
复杂度 200
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) 3.3
表面电荷 0
拓扑分子极性表面积 37.3
国际标准相关数据
EINECS 202-217-8
海关数据
海关编码 2916399090
海关数据

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

生产方法和用途
用途 用作有机合成中间体及植物生长调节剂。
生产方法 (1)以β-甲基萘为原料,进行液相空气氧化而得;(2)以β-萘胺为原料,利用亚硝酸钠在盐酸溶液中进行重氮化,在与氰酸亚铜反应,生成萘腈,在碱性水溶液中进行中和,最后用乙酸进行酸解而得。
合成路线

合成路线:1 步

反应条件:
参考文献:
Transformation of Thioacids into Carboxylic Acids via a Visible-Light-Promoted Atomic Substitution Process
Wang, Rui; Xie, Kai-jun; Fu, Qiang; Wu, Min; Pan, Gao-feng; et al, Organic Letters, 2022, 24(10), 2020-2024

合成路线:1 步

反应条件:
参考文献:
Method for preparing aromatic carboxylic acid compound
, China, , ,

合成路线:1 步

反应条件:
参考文献:
[Ru(bpy)3]Cl2-catalyzed aerobic oxidative cleavage β-diketones to carboxylic acids under visible light irradiation
Wang, Xiao-Yan; Shang, Zhen-Peng; Zha, Gao-Feng; Chen, Xiao-Qing; Bukhari, Syed Nasir Abbas; et al, Tetrahedron Letters, 2016, 57(50), 5628-5631

合成路线:1 步

反应条件:
参考文献:
Aqueous Flow Hydroxycarbonylation of Aryl Halides Catalyzed by an Amphiphilic Polymer-Supported Palladium-Diphenylphosphine Catalyst
Osako, Takao; Kaiser, Reinhard; Torii, Kaoru; Uozumi, Yasuhiro, Synlett, 2019, 30(8), 961-966

合成路线:1 步

反应条件:
参考文献:
Enzyme cascade reactions: synthesis of furandicarboxylic acid (FDCA) and carboxylic acids using oxidases in tandem
McKenna, Shane M.; Leimkuhler, Silke; Herter, Susanne; Turner, Nicholas J.; Carnell, Andrew J., Green Chemistry, 2015, 17(6), 3271-3275

合成路线:1 步

反应条件:
参考文献:
Clean and selective oxidation of aromatic alcohols using silica-supported Jones' reagent in a pressure-driven flow reactor
Wiles, Charlotte; Watts, Paul; Haswell, Stephen J., Tetrahedron Letters, 2006, 47(30), 5261-5264

合成路线:1 步

反应条件:
参考文献:
One-pot oxidation of azomethine compounds into arenecarboxylic acids
Giurg, Miroslaw; Said, Samy B.; Syper, Ludwik; Mlochowski, Jacek, Synthetic Communications, 2001, 31(20), 3151-3159

合成路线:1 步

反应条件:
参考文献:
tert-Butyl Nitrite-Mediated Synthesis of N-Nitrosoamides, Carboxylic Acids, Benzocoumarins, and Isocoumarins from Amides
Yedage, Subhash L.; Bhanage, Bhalchandra M., Journal of Organic Chemistry, 2017, 82(11), 5769-5781

合成路线:1 步

反应条件:
参考文献:
Oxidation of Primary Alcohols and Aldehydes to Carboxylic Acids with 1-Hydroxycyclohexyl Phenyl Ketone
Lu, Yi; Tan, Wen-Yun; Ding, Yuzhen; Chen, Wen ; Zhang, Hongbin, Journal of Organic Chemistry, 2023, 88(13), 8114-8122

合成路线:1 步

反应条件:
参考文献:
Dithioester-enabled chemodivergent synthesis of acids, amides and isothiazoles via C-C bond cleavage and C-O/C-N/C-S bond formations under metal- and catalyst-free conditions
Soni, Sonam; Koley, Suvajit; Singh, Maya Shankar, Tetrahedron Letters, 2017, 58(25), 2512-2516

合成路线:1 步

反应条件:
参考文献:
Hydrogen peroxide oxidation of naphthalene derivatives catalyzed by poly(bis-1,2-diphenylene) diselenide
Giurg, M.; Syper, L.; Mlochowski, J., Polish Journal of Chemistry, 2004, 78(2), 231-238

合成路线:1 步

反应条件:
参考文献:
5-Bromo-7-nitroindoline
Michael, Katja, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2007, ,

合成路线:1 步

反应条件:
参考文献:
Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
A new and efficient aerobic oxidation of aldehydes to carboxylic acids with singlet oxygen in the presence of porphyrin sensitizers and visible light
Hajimohammadi, Mahdi; Safari, Nasser; Mofakham, Hamid; Shaabani, Ahmad, Tetrahedron Letters, 2010, 51(31), 4061-4065

合成路线:1 步

反应条件:
参考文献:
Dimerization of Aromatic Compounds Using Palladium-Carbon-Catalyzed Suzuki-Miyaura Cross-Coupling by One-Pot Synthesis
Du, Fangyu; Zhou, Qifan; Liu, Dongdong; Fang, Ting; Shi, Yajie; et al, Synlett, 2018, 29(6), 779-784

合成路线:1 步

反应条件:
参考文献:
Method for preparing carboxylic acid by removing benzyl protection from benzyl carboxylate
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Hydroperoxide oxidation of different organic compounds catalyzed by silica-supported selenenamide
Giurg, M.; Brzaszcz, M.; Mlochowski, J., Polish Journal of Chemistry, 2006, 80(3), 417-428

合成路线:1 步

反应条件:
参考文献:
Preparation method of carboxylic acid compound under photopromotion
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Tandem one-pot CO2 reduction by PMHS and silyloxycarbonylation of aryl/vinyl halides to access carboxylic acids
Paridala, Kumaraswamy; Lu, Sheng-Mei; Wang, Meng-Meng; Li, Can, Chemical Communications (Cambridge, 2018, 54(82), 11574-11577

合成路线:1 步

反应条件:
参考文献:
SO2F2-Mediated One-Pot Synthesis of Aryl Carboxylic Acids and Esters from Phenols through a Pd-Catalyzed Insertion of Carbon Monoxide
Fang, Wan-Yin; Leng, Jing; Qin, Hua-Li, Chemistry - An Asian Journal, 2017, 12(17), 2323-2331

合成路线:1 步

反应条件:
参考文献:
Efficient synthesis of benzylic bromides under neutral conditions on solid support
Zoller, T.; Ducep, J.-B.; Hibert, M., Tetrahedron Letters, 2000, 41(51), 9985-9988
相关文献
专业数据库参考
PubChemId 7123
参考资料
Reaxys RN 972039
Beilstein 972039
产品用途
用作有机合成中间体及植物生长调节剂。 用作植物生长调节剂 用作植物生长刺激素,也用于有机合
2-萘甲酸推荐生产厂家
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