Lot numbers can be found on the outside label of a product:
2-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
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CAS No. 148673-97-6
- Cat. No. CS-0541530
- Purity≥95%
- MDL No.MFCD08060083
*For research and further manufacturing use only, not for direct human use.
Structure of 148673-97-6
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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
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.
Synthesis
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Route1
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148673-96-5 -
In-stock
57-13-6 - ~46%
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In-stock
148673-97-6
References
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Mitskyavichyus, V. Yu.; Baltrushis, R. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 10 p. 1185 - 1188 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 10 p. 1391 - 1394
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Route2
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4395-58-8
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In-stock
57-13-6
- ~45%
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In-stock
148673-97-6
References
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Mitskyavichyus, V. Yu.; Baltrushis, R. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 10 p. 1185 - 1188 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 10 p. 1391 - 1394
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Route3
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148673-95-4
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In-stock
57-13-6
- ~32%
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In-stock
148673-97-6
References
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Mitskyavichyus, V. Yu.; Baltrushis, R. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 10 p. 1185 - 1188 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 10 p. 1391 - 1394
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
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Quality Control
Computational Chemistry Data
- TPSA 86.71
- LogP 0.8311
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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