(3-Methyl-4-nitropyridin-2-yl)methanol

Base Information

• Chemical Name: (3-Methyl-4-nitropyridin-2-yl)methanol
• CAS No.: 168167-49-5
• Molecular Formula: C₇H₈N₂O₃
• Molecular Weight: 168.152
• Hs Code.: 2933399090
• European Community (EC) Number: 670-200-6
• DSSTox Substance ID: DTXSID80432946
• Wikidata: Q82247089
• Mol file: 168167-49-5.mol

Synonyms:168167-49-5;2-Hydroxymethyl-3-methyl-4-nitropyridine;(3-Methyl-4-nitropyridin-2-yl)methanol;2-Pyridinemethanol, 3-methyl-4-nitro-;2-(Hydroxymethyl)-3-methyl-4-nitropyridine;SCHEMBL8192014;DTXSID80432946;3-Methyl-4-nitropicolinyl alcohol;MFCD06658172;AKOS015912363;PS-4675;SB53897;CS-0153445;FT-0601234;A20682;F12188;(3-METHYL-4-NITRO-2-PYRIDINYL)METHANOL;W-205973

Chemical Property of (3-Methyl-4-nitropyridin-2-yl)methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 56-58 °C
• Refractive Index: 1.592
• Boiling Point: 344.446 °C at 760 mmHg
• PKA: 12.95±0.10(Predicted)
• Flash Point: 162.115 °C
• PSA: 78.94000
• Density: 1.35 g/cm³
• LogP: 1.31370
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

2-(Hydroxymethyl)-3-methyl-4-nitropyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1CO)[N+](=O)[O-]

Technology Process of (3-Methyl-4-nitropyridin-2-yl)methanol

There total 2 articles about (3-Methyl-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: 70.0%

(3-methyl-4-nitropyridin-2-yl)methyl acetate (166521-98-8) → (3-methyl-4-nitropyridin-2-yl)methanol (168167-49-5)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570430606

Reference yield:

2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7) → (3-methyl-4-nitropyridin-2-yl)methanol (168167-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / 3 h / 100 °C

2: 70 percent / aq. sodium hydroxide / 1 h / 20 °C

With sodium hydroxide;

DOI:10.1002/jhet.5570430606

upstream raw materials:

(3-methyl-4-nitropyridin-2-yl)methyl acetate

2,3-dimethyl-4-nitropyridine N-oxide

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