1-Naphthalenol, 2-nitro-, 1-acetate

Base Information

• Chemical Name: 1-Naphthalenol, 2-nitro-, 1-acetate
• CAS No.: 93201-37-7
• Molecular Formula: C12H9NO4
• Molecular Weight: 231.208
• DSSTox Substance ID: DTXSID701292813
• Mol file: 93201-37-7.mol

Synonyms:1-Naphthalenol, 2-nitro-, 1-acetate;SCHEMBL11626358;DTXSID701292813;93201-37-7

Chemical Property of 1-Naphthalenol, 2-nitro-, 1-acetate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.05315777
• Heavy Atom Count: 17
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=CC2=CC=CC=C21)[N+](=O)[O-]

Technology Process of 1-Naphthalenol, 2-nitro-, 1-acetate

There total 3 articles about 1-Naphthalenol, 2-nitro-, 1-acetate 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: 39.8%

2-nitronaphthalene (581-89-5) + acetic anhydride (108-24-7) → naphthalen-2-yl acetate (1523-11-1) + 2-nitronapthyl-1-acetate (93201-37-7)

Guidance literature:

2-nitronaphthalene; With perhydrodibenzo-18-crown-6; In N,N-dimethyl-formamide; benzene; for 4h;

acetic anhydride;

DOI:10.1248/cpb.48.1532

Reference yield:

1-naphthyl acetate (830-81-9) → 1-hydroxy-2,4-dinitronaphthalene (605-69-6) + 2-nitronapthyl-1-acetate (93201-37-7)

Guidance literature:

With nitric acid; acetic acid;

Reference yield:

1-naphthyl acetate (830-81-9) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 1-hydroxy-2,4-dinitronaphthalene (605-69-6) + 2-nitronapthyl-1-acetate (93201-37-7)

Guidance literature:

upstream raw materials:

1-naphthyl acetate

nitric acid

acetic acid

2-nitronaphthalene