[2,2'-Biquinoline]-4,4'-dicarboxylic acid

• CAS: 1245-13-2
• Catalog Number: ACM1245132
• Category: Other Products
• Molecular Weight: 344.326g/mol
• Molecular Formula: C20H12N2O4
• Synonyms: BAS 00649421; I04-1564; 4,4'-Dicarboxy-2,2'-biquinoline; 2,2'-Biquinoline-4,4'-dicarboxylic acid; ST24050403; bicinchoninic acid disodium salt; TRA0067063; 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid; NSC 133815; MLS001195899-02
• IUPAC Name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O
• InChI: InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)
• InChI Key: AFYNADDZULBEJA-UHFFFAOYSA-N
• Storage: 2-8°C
• Complexity: 506
• Covalently-Bonded Unit Count: 1
• EC Number: 214-990-9
• Exact Mass: 344.08g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 26
• Monoisotopic Mass: 344.08g/mol
• NSC Number: 133815
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 100A^2
• UNII: CX56TX9Y1I

Synthetic Use

Upstream Synthesis Route 1

• 91-56-5
• 513-86-0

• 1245-13-2

Reference: [1] Russian Chemical Bulletin, 2010, vol. 59, # 4, p. 724 - 732
[2] Journal of the American Chemical Society, 1942, vol. 64, p. 1897,1898

Upstream Synthesis Route 2

• 66-71-7
• 5743-04-4

• 1245-13-2

Reference: [1] Zeitschrift fur Anorganische und Allgemeine Chemie, 2013, vol. 639, # 3-4, p. 558 - 562

Upstream Synthesis Route 3

• 91-56-5
• 4091-39-8

• 1245-13-2

Reference: [1] Journal of the American Chemical Society, 1946, vol. 68, p. 2705,2707

Upstream Synthesis Route 4

• 91-56-5
• 513-86-0

• 1245-13-2

Reference: [1]Russian Chemical Bulletin,2010,vol. 59,p. 724 - 732
[2]Journal of the American Chemical Society,1942,vol. 64,p. 1897,1898

Downstream Synthesis Route 1

• 1245-13-2

• 912-84-5

Reference: [1]Journal of the American Chemical Society,1946,vol. 68,p. 2705,2707

Downstream Synthesis Route 2

• 1245-13-2

• 1259-60-5

Reference: [1]Journal of the American Chemical Society,1942,vol. 64,p. 1897,1898

* For details of the synthesis route, please refer to the original source to ensure accuracy.