Cas no 933686-33-0 (4-Chloropyrimidine-5-carboxylic acid)

4-Chloropyrimidine-5-carboxylic acid is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. Its reactive chloropyrimidine core and carboxylic acid functionality enable efficient derivatization, making it valuable for constructing complex molecular architectures. The compound serves as a key intermediate in the development of active pharmaceutical ingredients (APIs) and biologically active compounds. Its high purity and stability ensure reliable performance in nucleophilic substitution reactions, cross-coupling, and other transformations. The presence of both electrophilic (chloro) and nucleophilic (carboxyl) sites allows for selective modifications, facilitating the synthesis of targeted derivatives for medicinal chemistry and material science applications.
4-Chloropyrimidine-5-carboxylic acid structure
933686-33-0 structure
Product Name:4-Chloropyrimidine-5-carboxylic acid
CAS No:933686-33-0
MF:C5H3ClN2O2
MW:158.542519807816
MDL:MFCD09754102
CID:69558
PubChem ID:19791915
Update Time:2025-08-10

4-Chloropyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloropyrimidine-5-carboxylic acid
    • 4-Chloro-pyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylicacid,4-chloro
    • QC-5699
    • 4-Chloro-5-pyrimidinecarboxylic acid (ACI)
    • 4-CHLOROPYRIMIDINE-5-CARBOXYLICACID
    • SY267611
    • DB-079513
    • SCHEMBL1344662
    • 5-Pyrimidinecarboxylicacid, 4-chloro-
    • MFCD09754102
    • CS-0311919
    • 933686-33-0
    • AB51529
    • J-515199
    • DTXSID60599965
    • AKOS006326499
    • F10440
    • MDL: MFCD09754102
    • Inchi: 1S/C5H3ClN2O2/c6-4-3(5(9)10)1-7-2-8-4/h1-2H,(H,9,10)
    • InChI Key: ZJEFILYXLZSVJZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=NC=NC=1)O

Computed Properties

  • Exact Mass: 157.98800
  • Monoisotopic Mass: 157.9883050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 0.7
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • PSA: 63.08000
  • LogP: 0.82820

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4-Chloropyrimidine-5-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  2 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2 - 3
Reference
Synthesis and biological evaluation of pyrimidine analogs as potential antimicrobial agents
Sreenivas, B.; Akhila, M.; Mohammed, B., International Journal of Pharmacy and Pharmaceutical Sciences, 2012, 4(2), 306-310

4-Chloropyrimidine-5-carboxylic acid Raw materials

4-Chloropyrimidine-5-carboxylic acid Preparation Products

4-Chloropyrimidine-5-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:933686-33-0)4-Chloropyrimidine-5-carboxylic acid
Order Number:A20676
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):1074.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:933686-33-0)4-Chloropyrimidine-5-carboxylic acid
A20676
Purity:99%
Quantity:5g
Price ($):1074.0
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