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Atomfair Dimethyl pyridine-2,6-carboxylate C9H9NO4 CAS 5453-67-8

Dimethyl pyridine-2,6-carboxylate (CAS No. 5453-67-8) is a high-purity organic compound with the molecular formula C9H9NO4. This derivative of pyridine-2,6-dicarboxylic acid is widely used as a key intermediate in pharmaceutical synthesis, coordination chemistry, and material science research. The compound features two ester-functionalized carboxyl groups at the 2- and 6-positions of the pyridine ring, offering versatile reactivity for further modifications. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a white to off-white crystalline powder under inert packaging to prevent degradation. Ideal for ligand design, metal-organic frameworks (MOFs), and heterocyclic chemistry applications.

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Description

Dimethyl pyridine-2,6-carboxylate (CAS No. 5453-67-8) is a high-purity organic compound with the molecular formula C9H9NO4. This derivative of pyridine-2,6-dicarboxylic acid is widely used as a key intermediate in pharmaceutical synthesis, coordination chemistry, and material science research. The compound features two ester-functionalized carboxyl groups at the 2- and 6-positions of the pyridine ring, offering versatile reactivity for further modifications. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a white to off-white crystalline powder under inert packaging to prevent degradation. Ideal for ligand design, metal-organic frameworks (MOFs), and heterocyclic chemistry applications.

Properties

  • CAS Number: 5453-67-8
  • Complexity: 207
  • IUPAC Name: dimethyl pyridine-2,6-dicarboxylate
  • InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3
  • InChI Key: SNQQJEJPJMXYTR-UHFFFAOYSA-N
  • Exact Mass: 195.05315777
  • Molecular Formula: C9H9NO4
  • Molecular Weight: 195.17
  • SMILES: COC(=O)C1=NC(=CC=C1)C(=O)OC
  • Topological: 65.5
  • Monoisotopic Mass: 195.05315777
  • Synonyms: 2,6-Pyridinedicarboxylic acid, dimethyl ester, Dimethyl pyridine-2,6-carboxylate, YA2DJW5CFY, EINECS 226-697-3, NSC-18855, AI3-17592, DTXSID40202940, NSC 18855, 2,6-Pyridinedicarboxylic acid, 2,6-dimethyl ester, DTXCID70125431, 226-697-3, 5453-67-8, dimethyl pyridine-2,6-dicarboxylate, Dimethyl 2,6-pyridinedicarboxylate, 2,6-dimethyl pyridine-2,6-dicarboxylate, Pyridine-2,6-dicarboxylic acid dimethyl ester, 2,6-Pyridinedicarboxylic Acid Dimethyl Ester, MFCD00134493, CHEMBL72405, Dipicolinic Acid Dimethyl Ester, methyl 6-(methoxycarbonyl)pyridine-2-carboxylate, 2,6-Pyridinedicarboxylic Acid 2,6-Dimethyl Ester; 2,6-Bismethoxycarbonylpyridine; 2,6-Dicarbomethoxypyridine; Dipicolinic Acid Dimethyl Ester; NSC 18855;, Dimethyl Dipicolinate, DIMETHYLPYRIDINE-2,6-DICARBOXYLATE, UNII-YA2DJW5CFY, ChemDiv3_000174, 2,6-Dicarbomethoxypyridine, Oprea1_104125, Oprea1_809421, SCHEMBL69653, 2,6-Bismethoxycarbonylpyridine, F0771-0298, SNQQJEJPJMXYTR-UHFFFAOYSA-, HMS1473H20, BCP32364, dimethyl 2,6-pyridine-dicarboxylate, NSC18855, BDBM50403316, SBB013258, STK720127, AKOS000265978, AB03744, AC-8949, CCG-103569, CS-W007966, FP44227, HY-W007966, IDI1_019492, NCGC00177691-01, Dimethyl 2,6-pyridinedicarboxylate, 99%, DS-11097, SY013899, DB-052602, ST4111315, NS00033117, P1444, 2,6-Pyridine dicarboxylic acid dimethyl ester, EN300-15507, SR-01000394135, SR-01000394135-1, Z25085939, 2,6-Pyridinedicarboxylic acid, dimethyl ester;Pyridine-2,6-dicarboxylic acid dimethyl ester, InChI=1/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3

Application

Dimethyl pyridine-2,6-carboxylate serves as a precursor for synthesizing pyridine-based ligands in catalytic systems and asymmetric transformations. It is employed in the development of metal-organic frameworks (MOFs) due to its rigid dicarboxylate structure. Researchers also utilize this compound to prepare bioactive molecules in medicinal chemistry programs targeting enzyme inhibition.

Safety and Hazards

GHS Hazard Statements

  • H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (90.9%)
  • Eye Dam. 1 (90.9%)
  • STOT SE 3 (90.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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