5-Methyl-2-nitroanisole

Base Information

• Chemical Name: 5-Methyl-2-nitroanisole
• CAS No.: 38512-82-2
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2909309090
• European Community (EC) Number: 253-975-1
• NSC Number: 124451
• UNII: ZJ2GD17DGE
• DSSTox Substance ID: DTXSID80191844
• Nikkaji Number: J154.678C
• Wikidata: Q83064429
• Mol file: 38512-82-2.mol

Synonyms:5-Methyl-2-nitroanisole;38512-82-2;2-Methoxy-4-methyl-1-nitrobenzene;3-Methoxy-4-nitrotoluene;3-Methyl-6-nitroanisole;2-methoxy-4-methyl-1-nitro-benzene;2-Methoxy-4-methylnitrobenzene;Benzene, 2-methoxy-4-methyl-1-nitro-;MFCD00007367;2-Nitro-5-methylanisole;ZJ2GD17DGE;EINECS 253-975-1;NSC-124451;NSC124451;5-methyl-2-nitroanisol;UNII-ZJ2GD17DGE;4-Nitro-3-Methoxytoluene;SCHEMBL425259;SCHEMBL18708433;5-Methyl-2-nitroanisole, 99%;DTXSID80191844;4-methyl-2-methoxy-1-nitro benzene;2-Methoxy-4-methyl-1-nitrobenzene #;AKOS015842086;AKOS015889419;AB00874;CS-W013237;NSC 124451;PS-3470;AM803823;FT-0639478;EN300-194150;A824178;Z202487574

Chemical Property of 5-Methyl-2-nitroanisole

Chemical Property:

• Vapor Pressure: 0.0033mmHg at 25°C
• Melting Point: 58-60 °C (lit.)
• Refractive Index: 1.538
• Boiling Point: 292 °C at 760 mmHg
• Flash Point: 142.9 °C
• PSA: 55.05000
• Density: 1.18 g/cm³
• LogP: 2.43500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-2-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])OC
• Uses: 5-Methyl-2-nitroanisole may be used in chemical synthesis.

Technology Process of 5-Methyl-2-nitroanisole

There total 23 articles about 5-Methyl-2-nitroanisole 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: 97.0%

2-nitro-5-methylphenol (700-38-9) + methyl iodide (74-88-4) → 3-methoxy-4-nitrotoluene (38512-82-2)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In water; toluene; at 20 ℃;

DOI:10.1002/ejoc.200900537

Reference yield: 90.0%

2-nitro-5-methylphenol (700-38-9) + dimethyl sulfate (77-78-1) → 3-methoxy-4-nitrotoluene (38512-82-2)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃;

DOI:10.1021/jo01299a041

Reference yield: 59.0%

1-Bromo-3-methoxy-5-methyl-2-nitro-benzene (93796-63-5) → 3-methoxy-4-nitrotoluene (38512-82-2) + methyl 2-methoxy-4-(3-methoxy-5-methyl-2-nitrophenoxy)-6-methylbenzoate (93796-64-6)

Guidance literature:

With 4-Hydroxy-2-methoxy-6-methylbenzoesaeure-methylester; potassium carbonate; copper(II) oxide; at 140 ℃; for 16h;

upstream raw materials:

diazomethane

2-nitro-5-methylphenol

3,4-Dinitrotoluene

sodium methylate

Downstream raw materials:

(E)-3,3'-dimethoxy-4,4'-dinitrostilbene

2-methoxy-4-methylaniline

4-amino-3-methoxybenzaldehyde

5-methyl-2-nitroaniline