CAS: 93-10-7; Quinoline-2-Carboxylic Acid

该化合物是一种含有分子式C10H7NO2的杂交有机化合物,它是制药和农用化学合成的多用途中间体,特别是在开发丙酮抗生素和金属切合剂方面,该化合物在quinoline环的2个位置上有一个碳箱酸功能组,增强了其对进一步衍生的抗反应性,其僵硬的芳香结构有助于稳定性和选择性的结合特性,使其在化学和催化剂的协调设计方面很有价值.可用作研究和工业应用的高纯度,确保合成途径的一贯性能.该化合物通常作为具有精密溶性和热性晶状固体供应.

英文名称Quinoline-2-Carboxylic Acid
中文名称喹哪啶酸
IUPAC名称quinoline-2-carboxylic acid
其它别名2-Quinolinylcarboxylic Acid; 2-Quinolinylcarboxylate; Quinaldate; Quinaldic Acid [mi]; Chinolin-2-Carbonsa Currencyure; 2
CAS编号93-10-7
MFCD编号:MFCD00006752
EINECS号:202-218-3
FDA UNII编号:P90NWT719R
分子式:C10H7NO2
分子量:173.17
产品CID: 2463254
产品分类医药中间体 → 喹啉类化合物

相似结构搜索
InChIKey: LOAUVZALPPNFOQ-UHFFFAOYSA-N
InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H371 |可能损害器官.
防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi,T
安全声明26-36-37/39-45-36/37/39
危险类别码36/37/38-23/24/25
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 Quinaldic Acid 主要起始原料 2-Quinolinylmethanol
13721-17-0 = 93-10-7
反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Bromide Solvents: Acetic Acid,Water
标题:Quinolines. I. Synthesis Of Quinaldic Acid And Some Of Its Amide Derivatives
作者:Davis,Jefferson W. Jr.
参考文献:Journal Of Organic Chemistry 日期:1959 卷标:24 页码:1691-4]

5470-96-2 = 93-10-7
反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene,Water Catalysts: 1H-Imidazolium,3-[2,6-Bis(1-Methylethyl)Phenyl]-1-(3-Sulfopropyl)-,Inner Salt Solvents: Dimethylformamide; 4 - 24 H,Rt
标题:Oxidative Carboxylation Of Arylaldehydes With Water By A Sulfoxylalkyl-Substituted N-Heterocyclic Carbene Catalyst
作者:Yoshida,Masahiro; Katagiri,Yuki; Zhu,Wen-Bin; Shishido,Kozo
参考文献:Organic & Biomolecular Chemistry 日期:2009 卷标:7(19) 页码:4062-4066]

5470-96-2 = 93-10-7
反应条件:1.1 Reagents: Sodium Bicarbonate,Sodium Carbonate Catalysts: 4-Acetamido-Tempo Solvents: Acetonitrile,Water; 8 H,Ph 9.8 - 10.1,Rt
标题:Electrochemical Oxidation Of Alcohols And Aldehydes To Carboxylic Acids Catalyzed By 4-Acetamido-Tempo: An Alternative To "Anelli" And "Pinnick" Oxidations
作者:Rafiee,Mohammad; Konz,Zachary M.; Graaf,Matthew D.; Koolman,Hannes F.; Stahl,Shannon S.
参考文献:Acs Catalysis 日期:2018 卷标:8(7) 页码:6738-6744]

617-35-6 + 552-89-6 = 93-10-7
反应条件:1.1 Reagents: Iron,Hydrochloric Acid Solvents: Ethanol,Water; Rt -> 55 °C; 60 Min,55 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 60 Min,55 °C; 1 H,55 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 6 - 7
标题:Synthesis Of Quinaldic Acid
作者:Li,Xiao-Qing; Fang,Wei-Guo
参考文献:Zhejiang Huagong 日期:2011 卷标:42(9) 页码:17-18]

5632-15-5 = 93-10-7
反应条件:1.1 Reagents: Iodobenzene Diacetate Catalysts: (Sp-5-12)-Chloro[5,10,15,20-Tetrakis(4-Nitrophenyl)-21H,23H-Porphinato(2-)-Kn21,... Solvents: Methanol,Water; 12 H,50 °C
标题:Preparation Of 4,7-Diphenyl-1,10-Phenanthroline-2,9-Dicarboxylic Acid Catalyzed By Iron(Iii)Porphyrins With (Diacetoxyiodo)Benzene
作者:Zhong,Qi-Di; Xue,Yun-Zhou; Yan,Hong; Song,Xiu-Qing; Zhong,Ru-Gang
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(18) 页码:5532-5535]

108-30-5 + 109-06-8 = 93-10-7
反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Water; 85 °C; 80 °C; 4 Min,85 °C
标题:Process For Synthesis Of Benzopyridinecarboxylic Acid
参考文献:China]

1780-17-2 = 93-10-7
反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Nickel Hydroxide Oxide (Ni(Oh)O) Solvents: Tert-Butanol,Water
标题:Electrochemical Oxidation Of Alcohols Using Nickel Oxide Hydroxide As Heterogeneous Electrocatalyst In Batch And Continuous Flow
作者:Jud,Wolfgang; Salazar,Chase A.; Imbrogno,Joseph; Verghese,Jenson; Guinness,Steven M.; Et Al
参考文献:Organic Process Research & Development 日期:2022 卷标:26(5) 页码:1486-1495]

= 93-10-7
反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Selenium Dioxide Solvents: 1,4-Dioxane; 1 H,50 °C
标题:Improved Oxidation Of An Active Methyl Group Of N-Heteroaromatic Compounds By Selenium Dioxide In The Presence Of Tert-Butyl Hydroperoxide
作者:Tagawa,Yoshinobu; Yamashita,Katsuya; Higuchi,Yoshitaka; Goto,Yoshinobu
参考文献:Heterocycles 日期:2003 卷标:60(4) 页码:953-957]

4491-33-2 = 93-10-7
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
标题:Preparation Method Of Quinoline-2-Formic Acid And Its Derivatives
参考文献:China]

101444-29-5 = 93-10-7
反应条件:1.1 Reagents: 2-(Trimethylsilyl)Ethanol Catalysts: Bis(1,5-Cyclooctadiene)Nickel,1,3-Bis(2,6-Diisopropylphenyl)Imidazolidin-2-Ylidene Solvents: Toluene; 24 H,110 °C; 110 °C -> 23 °C1.2 Reagents: Tetrabutylammonium Fluoride; 2 H,23 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
标题:Nickel-Catalyzed Conversion Of Amides To Carboxylic Acids
作者:Knapp,Rachel R.; Bulger,Ana S.; Garg,Neil K.
参考文献:Organic Letters 日期:2020 卷标:22(7) 页码:2833-2837]

914208-15-4 = 93-10-7 + 914208-15-4
反应条件:1.1 Solvents: Acetonitrile,Water; Overnight,Ph 9.5,Rt1.2 Reagents: Ethanol1.3 Reagents: Molybdenum Hexacarbonyl,Cesium Hydroxide Catalysts: Palladate(1-),[2′-(Amino-Kn)[1,1′-Biphenyl]-2-Yl-Kc]Chloro[2′-(Dicyclohexylphos... Solvents: 1-Methoxy-2-Propanol,Water; 15 H,80 °C
标题:Palladium-Catalyzed Hydroxycarbonylation Of (Hetero)Aryl Halides For Dna-Encoded Chemical Library Synthesis
作者:Li,Jian-Yuan; Et Al
参考文献:Bioconjugate Chemistry 日期:2019 卷标:30(8) 页码:2209-2215]

5470-96-2 = 93-10-7
反应条件:1.1 Reagents: 1-Hydroxycyclohexyl Phenyl Ketone,Sodium Hydroxide Solvents: 1,2-Dimethoxyethane; 80 °C; 80 °C -> Rt1.2 Solvents: Water; Acidified,Rt
标题:Oxidation Of Primary Alcohols And Aldehydes To Carboxylic Acids With 1-Hydroxycyclohexyl Phenyl Ketone
作者:Lu,Yi; Tan,Wen-Yun; Ding,Yuzhen; Chen,Wen; Zhang,Hongbin
参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(13) 页码:8114-8122]

5470-96-2 = 93-10-7
反应条件:1.1 Reagents: 1-Hydroxycyclohexyl Phenyl Ketone,Sodium Hydroxide Solvents: 1,2-Dimethoxyethane; 80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
标题:Oxidation Of Primary Alcohols And Aldehydes To Carboxylic Acids Via Hydrogen Atom Transfer
作者:Tan,Wen-Yun; Lu,Yi; Zhao,Jing-Feng; Chen,Wen; Zhang,Hongbin
参考文献:Organic Letters 日期:2021 卷标:23(17) 页码:6648-6653]

600-22-6 + 552-89-6 = 93-10-7
反应条件:1.1 Reagents: Iron Catalysts: Hydrochloric Acid Solvents: Ethanol,Water; 40 Min,95 °C; 95 °C -> Rt1.2 Reagents: Potassium Hydroxide; 30 Min,95 °C; 95 °C -> Rt
标题:A Highly Effective One-Pot Synthesis Of Quinolines From O-Nitroarylcarbaldehydes
作者:Li,An-Hu; Ahmed,Eilaf; Chen,Xin; Cox,Matthew; Crew,Andrew P.; Et Al
参考文献:Organic & Biomolecular Chemistry 日期:2007 卷标:5(1) 页码:61-64]

613-53-6 = 93-10-7
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water
标题:Quinoline Series. V. Preparation Of Some α-Dialkylaminomethyl-2-Quinolinemethanols
作者:Campbell,Kenneth N.; Helbing,Clarence H.; Kerwin,James F.
参考文献:Journal Of The American Chemical Society 日期:1946 卷标:68 页码:1840-3]

4491-33-2 = 93-10-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 4 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5
标题:Eco-Efficient Synthesis Of 2-Quinaldic Acids From Furfural
作者:Li,Minghao; Dong,Xiaohan; Zhang,Na; Jerome,Francois; Gu,Yanlong
参考文献:Green Chemistry 日期:2019 卷标:21(17) 页码:4650-4655]

600-22-6 + 529-23-7 = 93-10-7
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; Rt; 40 Min,Rt; 3 H,Rt -> 80 °C1.2 Reagents: Hydrochloric Acid; Ph 3 - 4
标题:Design,Synthesis And Cholinesterase Inhibitory Activity Of Quinoline-Polyamine Conjugates
作者:Luo,Wen; Huang,Kai; Zhang,Zhen; Hong,Chen; Wang,Chao-Jie
参考文献:Yaoxue Xuebao 日期:2013 卷标:48(2) 页码:269-275]

600-22-6 + 529-23-7 = 93-10-7
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; Rt; 40 Min,Rt; 3 H,Rt -> 80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt
标题:Synthesis And Biological Evaluation Of Quinoline-Polyamine Derivatives
作者:Luo,Wen; Zhang,Zhen; Wang,Chaojie
参考文献:Youji Huaxue 日期:2013 卷标:33(1) 页码:125-131]

1780-17-2 = 93-10-7
反应条件:1.1 Reagents: 1-Hydroxycyclohexyl Phenyl Ketone,Sodium Hydroxide Solvents: 1,2-Dimethoxyethane; 5 H,80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
标题:Green Preparation Of Carboxylic Acid
参考文献:China]

5470-96-2 = 93-10-7
反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Formic Acid,Water
标题:The Oxidation Of Aromatic Aldehydes To Carboxylic Acids Using Hydrogen Peroxide In Formic Acid
作者:Dodd,Robert H.; Le Hyaric,Mireille
参考文献:Synthesis 日期:1993 卷标:(3) 页码:295-7]

= 93-10-7
反应条件:1.1 Reagents: Nitrogen Dioxide Catalysts: N-Hydroxyphthalimide Solvents: Acetic Acid
标题:Remarkable Effect Of Nitrogen Dioxide For N-Hydroxyphthalimide-Catalyzed Aerobic Oxidation Of Methylquinolines
作者:Sakaguchi,Satoshi; Shibamoto,Akihiro; Ishii,Yasutaka
参考文献:Chemical Communications (Cambridge 日期:2002 卷标:(2) 页码:180-181

2-甲基喹啉置于selenium(Iv) Oxide,Sodium Dihydrogenphosphate Dihydrate,2-甲基-2-丁烯,Sodium Perchlorate,水体系中,用 1,4-二氧六环,叔丁醇作为反应溶剂,化学反应 16.0H,反应生成喹哪啶酸
参考文献:作为治疗前列腺癌的有效雄激素受体拮抗剂的新型乙内酰脲衍生物的设计,合成和生物学评价
标题:作为治疗前列腺癌的有效雄激素受体拮抗剂的新型乙内酰脲衍生物的设计,合成和生物学评价
摘要:前列腺癌 (Pc) 是全球男性最常见的恶性肿瘤.在这里,设计并合成了作为强效雄激素受体 (Ar) 拮抗剂的恩杂鲁胺的两个系列新型硫乙内酰脲衍生物.其中,化合物31C被鉴定为 Ar 拮抗剂,其效力是 Enzalutamide 的 2.3 倍.进行了分子对接研究以解释31C在 Ar 上的增强效力.在细胞增殖试验中,31C与恩杂鲁胺对激素敏感的 Lncap 细胞和 Ar 过表达的 Lncap/ar 细胞表现出类似的抗增殖活性.这些数据表明,31C可以成为用于治疗前列腺癌的进一步结构优化的非常好先导化合物.
DOI:10.1016/j.Bmc.2020.115953

海关参考信息

2902200000-苯
2905110000-甲醇
2912110000-甲醛
2915110000-甲酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-11274081-B2
优先权日:2016-05-30
标题:Process for the synthesis of ivacaftor
发明人：REDDY DUMBALA SRINIVASA; KULKARNI AMOL ARVIND; NATARAJAN VASUDEVAN; SHARMA MRITYUNJAY KESHAVPRASAD
权利人:COUNCIL SCIENT IND RES
摘要:The present disclosed an improved process for the synthesis of ivacaftor starting from indole acetic acid ester which can be performed in batch as well as continuous flow synthesis. The present invention further disclosed to a continuous process for the synthesis of compound of formula (II) or formula (III) from compound of formula (I) in continuous flow reactor.

专利号:US-6815214-B2
优先权日:2000-12-29
标题 :Pharmaceutical uses and synthesis of diketopiperazines
发明人：BOYCE JIM P; HOWBERT J JEFFRY; TABONE JOHN C
权利人:CELLTECH R & D INC
摘要:The synthesis of novel diketopiperazines, their use in inhibiting cellular events such as those involving NFK-Î±, NFK-Î² and in the treatment of inflammation events, a combinatorial library of diverse diketopiperazines and process for their synthesis as a library and as individual compounds. In particular novel diketopiperazines are disclosed including their synthesis and use in cellular events such as activation of the transcription factor, nuclear factor, TNF-Î±, TNF-Î² and also apoptosis.

专利号:US-9233943-B2
优先权日:2012-01-10
标题:Process for synthesis of syn azido epdxide and its use as intermediate for the synthesis of amprenavir and saquinavir
发明人：GADAKH SUNITA KHANDERAO; REKULA REDDY SANTHOSH; SUDALAI ARUMUGAM
权利人:COUNCIL SCIENT IND RES
摘要:A novel synthetic route to the syn-azido epoxide of formula 5 includes cobalt-catalyzed hydrolytic kinetic resolution of a racemic mixture of the azido-epoxide. Reaction steps include subjecting an allylic alcohol to epoxidation with mCPBA to obtain a racemic epoxy alcohol; ring opening the epoxy alcohol with azide anion to obtain an anti-azido alcohol, which can then be selectively tosylated at the primary alcohol; treating the tosylate with base to obtain the racemic azido-epoxide; and subjecting the racemic azido-epoxide to cobalt-catalyzed hydrolytic kinetic resolution to obtain the syn-azido epoxide of formula 5. The compound of formula 5 may be used as a common intermediate for the asymmetric synthesis of HIV protease inhibitors, such as Amprenavir, Fosamprenavir, Saquinavir, and formal synthesis of Darunavir and Palinavir.

专利号:WO-2015198349-A1
优先权日:2014-06-25
标题 :A one pot synthesis of 3-substituted quinoline carboxylates and its derivatives
发明人：GADAKH SUNITA KHANDERAO; SUDALAI ARUMUGAM
权利人:COUNCIL SCIENT IND RES
摘要:The present invention provides a one pot, simple, cost effective and industrially feasible catalytic synthesis of quinolines or substituted quinolines from anilines with yield >80% yield. The present invention also discloses a process for the synthesis of oxolinic acid using quinolines with yield > 45%.

专利号:US-2003083352-A1
优先权日:2000-07-31
标题 :Synthesis of imidazole intermediates
发明人：HELAL CHRISTOPHER J
权利人:PFIZER
摘要:The invention provides a method for synthesis of compounds of formula n n n wherein R 1 and R 19 are as defined. Compounds of formula 12 are useful as intermediates for synthesizing compounds having pharmacological activity inhibiting cdk5, cdk2, and GSK-3.

专利号:US-5002641-A
优先权日:1990-06-28
标题:Electrochemical synthesis of niacin and other N-heterocyclic compounds
发明人：TOOMEY JR JOSEPH E
权利人:REILLY IND INC
摘要:An electrochemical oxidation of a pi-deficient N-heterocyclic precursor compound having an oxidizable organic group attached by a carbon-to-carbon linkage. This precursor compound is at least sparingly water soluble. The preferred electro-oxidation is conducted at an effective anode and in a medium which consists essentially of water, carboxylic acid, and the precursor compound. Preferred are electro-oxidations of substituted pyridine and quinoline bases and a particularly preferred aspect provides a convenient electrochemical synthesis of niacin from 3-methylpyridine.

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主要参考文献

参考标题:Process For Synthesis Of Syn Azido Epoxide And Its Use As Intermediate For The Synthesis Of Amprenavir & Saquinavir
摘要:Disclosed Herein Is A Novel Route Of Synthesis Of Syn Azide Epoxide Of Formula 5, Which Is Used As A Common Intermediate For Asymmetric Synthesis Of Hiv Protease Inhibitors Such As Amprenavir, Fosamprenavir, Saquinavir And Formal Synthesis Of Darunavir And Palinavir Obtained By Cobalt-Catalyzed Hydrolytic Kinetic Resolution Of Racemic Anti-(2Sr,3Sr)-3-Azido-4-Phenyl-1,2-Epoxybutane (Azido-Epoxide).