1-Methyl-2-nitronaphthalene

Base Information

• Chemical Name: 1-Methyl-2-nitronaphthalene
• CAS No.: 63017-87-8
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.198
• NSC Number: 153683
• UNII: IG6TB7V6S8
• DSSTox Substance ID: DTXSID80212240
• Nikkaji Number: J58.174G
• Wikidata: Q83087287
• ChEMBL ID: CHEMBL165367
• Mol file: 63017-87-8.mol

Synonyms:1-Methyl-2-nitronaphthalene;63017-87-8;NAPHTHALENE, 1-METHYL-2-NITRO-;CCRIS 7762;BRN 1872264;IG6TB7V6S8;NSC-153683;4-05-00-01693 (Beilstein Handbook Reference);NSC153683;UNII-IG6TB7V6S8;CHEMBL165367;SCHEMBL5941164;DTXSID80212240;NSC 153683;LS-94798;FT-0706899

Chemical Property of 1-Methyl-2-nitronaphthalene

Chemical Property:

• Vapor Pressure: 0.00037mmHg at 25°C
• Melting Point: 58-59 °C
• Boiling Point: 328.1°C at 760 mmHg
• Flash Point: 158.1°C
• PSA: 45.82000
• Density: 1.234g/cm³
• LogP: 3.57960
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

1-METHYL-2-NITRONAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=CC=CC=C12)[N+](=O)[O-]

Technology Process of 1-Methyl-2-nitronaphthalene

There total 19 articles about 1-Methyl-2-nitronaphthalene 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: 73.0%

methyl 2-nitronaphthalene-1-acetate (97522-12-8) → 2-nitro-1-methylnaphthalene (63017-87-8)

Guidance literature:

With sodium iodide; In water; N,N-dimethyl-formamide; for 8h; Heating;

DOI:10.1002/jhet.5570400613

Reference yield: 44.0%

1-Methylnaphthalene (90-12-0,34475-76-8) → 4-nitro-1-methylnaphthalene (880-93-3) + 2-nitro-1-methylnaphthalene (63017-87-8) + 8-methyl-1-nitro-naphthalene (90745-27-0) + 5-nitro-1-methylnaphthalene (91137-27-8)

Guidance literature:

With nitric acid; In acetic anhydride; at 0 ℃; for 1h; Further byproducts given. Yields of byproduct given;

Reference yield: 26.0%

ethyl 2-nitro-1-naphthaleneacetate → 2-nitro-1-methylnaphthalene (63017-87-8)

Guidance literature:

With sodium iodide; In water; dimethyl sulfoxide; for 20h; Heating;

DOI:10.1002/jhet.5570400613

upstream raw materials:

4-bromo-1-methyl-2-nitro-naphthalene

4-methyl-3-nitro-[1]naphthylamine

methyl nitrite

1-Methylnaphthalene

Downstream raw materials:

1-methylnaphthalen-2-amine

5-methylnaphthalene-1-amine

2-nitro-[1]naphthoic acid

2-nitro-1-naphthaldehyde