Cas no 90325-36-3 (5-Bromopyridine-3,4-dicarboxylic acid)

5-Bromopyridine-3,4-dicarboxylic acid structure
90325-36-3 structure
Product Name:5-Bromopyridine-3,4-dicarboxylic acid
CAS No:90325-36-3
MF:C7H4BrNO4
MW:246.014961242676
CID:798251
PubChem ID:21816770
Update Time:2024-10-26

5-Bromopyridine-3,4-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromopyridine-3,4-dicarboxylic acid
    • 3,4-Pyridinedicarboxylicacid, 5-bromo-
    • 3,4-Pyridinedicarboxylicacid,5-bromo
    • 5-bromanylpyridine-3,4-dicarboxylic acid
    • 5-Brom-cinchomeronsaeure
    • 5-bromocinchomeronic acid
    • 5-bromo-pyridine-3,4-dicarboxylic acid
    • 5-Brom-pyridin-3,4-dicarbonsaeure
    • 5-Bromo-3,4-pyridinedicarboxylic acid (ACI)
    • DTXSID20618383
    • AKOS015891675
    • AT21187
    • DB-081702
    • 90325-36-3
    • SCHEMBL21749937
    • MDL: MFCD09702458
    • Inchi: 1S/C7H4BrNO4/c8-4-2-9-1-3(6(10)11)5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)
    • InChI Key: ODVOJWAGUGFOCF-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C(O)=O)=C(Br)C=NC=1)O

Computed Properties

  • Exact Mass: 244.93200
  • Monoisotopic Mass: 244.93237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 233
  • 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
  • XLogP3: 0.6
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • PSA: 87.49000
  • LogP: 1.24050

5-Bromopyridine-3,4-dicarboxylic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-Bromopyridine-3,4-dicarboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran ,  Hexane ;  30 min, -50 °C
1.2 -
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 3, rt
Reference
Directed lithiation of unprotected pyridinecarboxylic acids: syntheses of halo derivatives
Lazaar, Jalal; Rebstock, Anne-Sophie; Mongin, Florence; Godard, Alain; Trecourt, Francois; et al, Tetrahedron, 2002, 58(33), 6723-6728

5-Bromopyridine-3,4-dicarboxylic acid Raw materials

5-Bromopyridine-3,4-dicarboxylic acid Preparation Products

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