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CS-W001157 4
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2-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid

  • CAS No. 148673-97-6

  • Cat. No. CS-0541530
  • Purity≥95%
  • MDL No.MFCD08060083
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

2-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid|CS-0541530

Structure of 148673-97-6

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Description

This benzoic acid derivative features a fused tetrahydropyrimidinone ring, combining a reactive 2,4-dioxo moiety with an aromatic carboxylate. The electron-deficient heterocycle enables efficient coupling reactions, while the carboxylic acid group facilitates conjugation and solubility in polar media. This scaffold integrates readily into bioactive molecule design, particularly for kinase inhibitors and nucleoside analogs.

Application

2-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrimidine-fused scaffolds via standard condensation and cyclization protocols. Its ortho-carboxylic acid functionality facilitates direct derivatization and enhances solubility in polar reaction media, while the 2,4-dioxo-tetrahydropyrimidine core exhibits predictable reactivity in nucleophilic addition and ring-closure transformations. The compound demonstrates bench stability and compatibility with common protecting group strategies, supporting its use in iterative synthetic sequences and API intermediate development.

General Information

  • CAS No. 148673-97-6
  • Cat. No. CS-0541530
  • Purity ≥95%
  • MDL No. MFCD08060083
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₄
  • Molecular Weight 234.21
  • Synonym(s) 2-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
  • SMILES O=C(C1=C(N2C(NC(CC2)=O)=O)C=CC=C1)O

Computational Chemistry Data

  • TPSA   86.71
  • LogP   0.8311
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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