(3,5-Dimethyl-4-nitropyridin-2-yl)methanol

Base Information

• Chemical Name: (3,5-Dimethyl-4-nitropyridin-2-yl)methanol
• CAS No.: 149082-03-1
• Molecular Formula: C₈H₁₀N₂O₃
• Molecular Weight: 182.179
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID20398774
• Wikidata: Q69757934
• ChEMBL ID: CHEMBL4444883
• Mol file: 149082-03-1.mol

Synonyms:149082-03-1;(3,5-dimethyl-4-nitropyridin-2-yl)methanol;3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine;2-(Hydroxymethyl)-3,5-dimethyl-4-nitropyridine;3,5-Dimethyl-4-nitropyridine-2-methanol;2-Pyridinemethanol, 3,5-dimethyl-4-nitro-;(3,5-Dimethyl-4-nitro-2-pyridyl)-1-methanol;MFCD03426035;3,5-Dimethyl-4-nitro-2-pyridinemethanol;2-hydroxymethyl-3,5-dimethyl-4-nitropyridine;SCHEMBL3089370;CHEMBL4444883;DTXSID20398774;KBCDOXSSYLFMHH-UHFFFAOYSA-N;AKOS015891698;AB14752;AC-8344;AM84451;CS-W010746;DS-14790;SY038239;(3,5-Dimethyl-4-nitro-2-pyridinyl)methanol;2-hydroxymethyl-3,5dimethyl-4-nitropyridine;A3269;D4026;FT-0614682;EN300-175309;2-HYDROMETHYL-3,5-DIMETHYL-4-NITROPYRIDINE;J-008549;(3,5-Dimethyl-4-nitro-2-pyridyl)-1-methanol, 97%;3,5-DIMETHYL-4-NITRO-2-HYDROXYMETHYL PYRIDINE;(3,5-Dimethyl-4-nitro-pyridin-2-yl)-methanol

Chemical Property of (3,5-Dimethyl-4-nitropyridin-2-yl)methanol

Chemical Property:

• Vapor Pressure: 1.72E-05mmHg at 25°C
• Melting Point: 66-70 °C
• Refractive Index: 1.581
• Boiling Point: 349.7 °C at 760 mmHg
• PKA: 12.97±0.10(Predicted)
• Flash Point: 165.3 °C
• PSA: 78.94000
• Density: 1.293 g/cm³
• LogP: 1.62210
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=C1[N+](=O)[O-])C)CO

Technology Process of (3,5-Dimethyl-4-nitropyridin-2-yl)methanol

There total 5 articles about (3,5-Dimethyl-4-nitropyridin-2-yl)methanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

2,3,5-trimethyl-4-nitropyridine N-oxide (86604-79-7) → 2-hydroxymethyl-3,5-dimethyl-4-nitropyridine (149082-03-1)

Guidance literature:

2,3,5-trimethyl-4-nitropyridine N-oxide; With acetic anhydride; acetic acid; at 90 ℃; for 2h;

With hydrogenchloride; for 2h; Further stages.;

DOI:10.1080/00397910701797913

Reference yield:

2-acetyloxymethyl-3,5-dimethyl-4-nitropyridine (142885-95-8) → 2-hydroxymethyl-3,5-dimethyl-4-nitropyridine (149082-03-1)

Guidance literature:

With potassium carbonate; In methanol; at 50 ℃;

DOI:10.1021/jm050752+

Reference yield:

2,3,5-trimethyl-pyridine (695-98-7) → 2-hydroxymethyl-3,5-dimethyl-4-nitropyridine (149082-03-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 70 percent / mCPBA / CH₂Cl₂ / 0 - 20 °C

2: 97 percent / conc. H₂SO₄; HNO₃ / 24 h / 100 °C

3: 90 °C

4: K₂CO₃ / methanol / 50 °C

With sulfuric acid; nitric acid; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1021/jm050752+

upstream raw materials:

2-acetyloxymethyl-3,5-dimethyl-4-nitropyridine

2,3,5-trimethyl-4-nitropyridine N-oxide

2,3,5-trimethyl-pyridine

2,3,5-trimethylpyridine 1-oxide

Downstream raw materials:

(3,5-dimethyl-4-nitropyridin-2-yl)methyl 4-methylbenzenesulfonate

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