Cas no 86-68-0 (Quininic acid)

Quininic acid structure
Quininic acid structure
Product Name:Quininic acid
CAS No:86-68-0
MF:C11H9NO3
MW:203.194062948227
MDL:MFCD00024013
CID:722441
PubChem ID:253661211
Update Time:2024-10-26

Quininic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinecarboxylicacid, 6-methoxy-
    • 6-Methoxyquinoline-4-carboxylic Acid
    • 6-Methoxy-4-Quinolinecarboxylic Acid
    • 6-Methoxy-quinoline-4-carboxylic acid
    • QUININIC ACID
    • 4-Quinolinecarboxylic acid,6-methoxy
    • 6-Methoxy-chinolin-4-carbonsaeure
    • 6-Methoxycinchoninic acid
    • 6-Methoxyquinoline4-Carboxylic Acid
    • Cinchoninic acid,6-methoxy
    • Cinchoninic acid, 6-methoxy-
    • 4-Quinolinecarboxylic acid, 6-methoxy-
    • FS902DD40C
    • Quininic acid [MI]
    • Chininsaure
    • 6-Methoxy-4-quinolinecarboxylicacid
    • Prestwick0_001103
    • Prestwick2_001103
    • Prestwick1_001103
    • Oprea1_238538
    • SPBio_003083
    • XXLFLUJXWKXUGS-UHFFFAOYSA-N
    • HMS157
    • 6-Methoxy-4-quinolinecarboxylic acid (ACI)
    • Cinchoninic acid, 6-methoxy- (6CI, 7CI, 8CI)
    • NSC 403610
    • CAS-86-68-0
    • HMS1571M08
    • HY-N7354
    • MFCD00024013
    • NSC-403610
    • CS-0113794
    • SB39106
    • SCHEMBL39557
    • 4-Quinolinecarboxylicacid,6-methoxy-
    • 86-68-0
    • SY055224
    • NCGC00016341-01
    • Z1508915640
    • Q27278170
    • CHEMBL1396390
    • DTXCID70274458
    • DB-008493
    • AE-562/43287134
    • NSC403610
    • M2751
    • AS-41373
    • DTXSID70323339
    • EN300-629989
    • UNII-FS902DD40C
    • AKOS022505953
    • Quininic acid
    • MDL： MFCD00024013
    • Inchi： 1S/C11H9NO3/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)
    • InChI Key： XXLFLUJXWKXUGS-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=CC=C(C=2)OC)N=CC=1)O

Computed Properties

  • Exact Mass: 203.05800
  • Monoisotopic Mass: 203.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7
  • Topological Polar Surface Area: 59.4

Experimental Properties

  • Density: 1.2621 (rough estimate)
  • Melting Point: 280°C(dec.)(lit.)
  • Boiling Point: 341.49°C (rough estimate)
  • Flash Point: 186.9 °C
  • Refractive Index: 1.4950 (estimate)
  • Solubility: Solubility Slightly soluble in water, cold ethanol, ether
  • PSA: 59.42000
  • LogP: 1.94160
  • Merck: 8062
  • pka: 5.53(at 25℃)
  • PH: Yellow I uorescent (4.0) to blue I uorescent (5.0)
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Quininic acid Security Information

Quininic acid Customs Data

  • HS CODE：2933499090
  • Customs Data：

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Quininic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  5 min, 16 - 20 bar, 190 - 200 °C
Reference
Facile and efficient synthesis of quinoline-4-carboxylic acids under microwave irradiation
Zhu, Hui; et al, Chinese Chemical Letters, 2010, 21(1), 35-38

Production Method 2

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)
Reference
Cinchona alkaloids. XXV. Total synthesis of the cinchona alkaloids hydroquinine and hydroquinidine
Rabe, Paul; et al, Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, 1931, 64, 2487-500

Production Method 3

Reaction Conditions
1.1 Reagents: Acetic acid ,  Zinc Solvents: Water
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Acetone
Reference
Synthesis of ethyl quininate
Campbell, K. N.; et al, Journal of Organic Chemistry, 1946, 11, 803-11

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride
2.1 Reagents: Acetic acid ,  Zinc Solvents: Water
3.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Acetone
Reference
Synthesis of ethyl quininate
Campbell, K. N.; et al, Journal of Organic Chemistry, 1946, 11, 803-11

Production Method 5

Reaction Conditions
1.1 Reagents: 2,6-Di-tert-butylpyridine Solvents: Dichloromethane ;  -45 °C; 20 min, -45 °C
1.2 Solvents: Dichloromethane
1.3 -45 °C; -45 °C → rt; 16 h, rt
2.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  tert-Butanol ;  0 °C; 24 h, 0 °C
3.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
3.2 Reagents: Oxygen ;  24 h, rt
3.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
4.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
4.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
5.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
5.2 Solvents: Tetrahydrofuran ;  < 20 °C
5.3 Reagents: Oxygen ;  3 h, 0 °C → rt
5.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 6

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water
2.1 Reagents: Dimethyl sulfoxide ,  Oxalyl chloride Solvents: Dichloromethane ;  -78 °C; 20 min, -78 °C
2.2 Solvents: Dichloromethane ;  40 min, -78 °C
2.3 Reagents: Triethylamine ;  -78 °C; -78 °C → 0 °C; 1 h, 0 °C
2.4 Reagents: Water ;  0 °C
3.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  tert-Butanol ;  0 °C; 24 h, 0 °C
4.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
4.2 Reagents: Oxygen ;  24 h, rt
4.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
5.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
5.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
6.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
6.2 Solvents: Tetrahydrofuran ;  < 20 °C
6.3 Reagents: Oxygen ;  3 h, 0 °C → rt
6.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Tetrahydrofuran ;  20 min, 0 °C
1.2 Solvents: Tetrahydrofuran ;  1 h, rt
1.3 Solvents: Tetrahydrofuran ;  rt; 20 min, rt
1.4 Reagents: Water ,  Sodium borohydride ;  10 min, rt; 4 h, rt
1.5 Reagents: Water
2.1 Reagents: 2,6-Di-tert-butylpyridine Solvents: Dichloromethane ;  -45 °C; 20 min, -45 °C
2.2 Solvents: Dichloromethane
2.3 -45 °C; -45 °C → rt; 16 h, rt
3.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  tert-Butanol ;  0 °C; 24 h, 0 °C
4.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
4.2 Reagents: Oxygen ;  24 h, rt
4.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
5.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
5.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
6.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
6.2 Solvents: Tetrahydrofuran ;  < 20 °C
6.3 Reagents: Oxygen ;  3 h, 0 °C → rt
6.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 8

Reaction Conditions
1.1 Solvents: Water ;  1.5 h, rt → 200 °C
Reference
Selective Inhibitors of Fibroblast Activation Protein (FAP) with a (4-Quinolinoyl)-glycyl-2-cyanopyrrolidine Scaffold
Jansen, Koen; et al, ACS Medicinal Chemistry Letters, 2013, 4(5), 491-496

Production Method 9

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Acetone
Reference
Synthesis of ethyl quininate
Campbell, K. N.; et al, Journal of Organic Chemistry, 1946, 11, 803-11

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  15 min, < 6 bar, 110 °C; 110 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
2.1 Solvents: Water ;  5 min, 16 - 20 bar, 190 - 200 °C
Reference
Facile and efficient synthesis of quinoline-4-carboxylic acids under microwave irradiation
Zhu, Hui; et al, Chinese Chemical Letters, 2010, 21(1), 35-38

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
1.2 Solvents: Tetrahydrofuran ;  < 20 °C
1.3 Reagents: Oxygen ;  3 h, 0 °C → rt
1.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 12

Reaction Conditions
1.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
2.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
2.2 Solvents: Tetrahydrofuran ;  < 20 °C
2.3 Reagents: Oxygen ;  3 h, 0 °C → rt
2.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 13

Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
1.2 Reagents: Oxygen ;  24 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
2.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
3.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
3.2 Solvents: Tetrahydrofuran ;  < 20 °C
3.3 Reagents: Oxygen ;  3 h, 0 °C → rt
3.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 14

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  tert-Butanol ;  0 °C; 24 h, 0 °C
2.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
2.2 Reagents: Oxygen ;  24 h, rt
2.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
3.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
3.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
4.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
4.2 Solvents: Tetrahydrofuran ;  < 20 °C
4.3 Reagents: Oxygen ;  3 h, 0 °C → rt
4.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Production Method 15

Reaction Conditions
1.1 Reagents: Dimethyl sulfoxide ,  Oxalyl chloride Solvents: Dichloromethane ;  -78 °C; 20 min, -78 °C
1.2 Solvents: Dichloromethane ;  40 min, -78 °C
1.3 Reagents: Triethylamine ;  -78 °C; -78 °C → 0 °C; 1 h, 0 °C
1.4 Reagents: Water ;  0 °C
2.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  tert-Butanol ;  0 °C; 24 h, 0 °C
3.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  15 min, 180 °C
3.2 Reagents: Oxygen ;  24 h, rt
3.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
4.1 Reagents: Benzophenone ,  Potassium tert-butoxide Solvents: Toluene ;  16 h, reflux; reflux → 0 °C
4.2 Reagents: Hydrochloric acid Solvents: Water ;  < 30 °C
5.1 Reagents: Potassium tert-butoxide ,  Oxygen Solvents: Isopropanol ,  Tetrahydrofuran ;  1 h, 0 °C
5.2 Solvents: Tetrahydrofuran ;  < 20 °C
5.3 Reagents: Oxygen ;  3 h, 0 °C → rt
5.4 Reagents: Sulfuric acid Solvents: Water ;  0 °C
Reference
Practical and Highly Selective Sulfur Ylide Mediated Asymmetric Epoxidations and Aziridinations Using an Inexpensive, Readily Available Chiral Sulfide. Applications to the Synthesis of Quinine and Quinidine
Illa, Ona; et al, Journal of the American Chemical Society, 2010, 132(6), 1828-1830

Quininic acid Raw materials

Quininic acid Preparation Products

Quininic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:86-68-0)Quininic acid
Order Number:LE16790
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:15
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:86-68-0)Quininic acid
LE16790
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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