2-Methyl-6-nitrobenzoxazole

Base Information

• Chemical Name: 2-Methyl-6-nitrobenzoxazole
• CAS No.: 5683-43-2
• Molecular Formula: C8H6 N2 O3
• Molecular Weight: 178.147
• Hs Code.: 2934999090
• European Community (EC) Number: 227-149-6
• DSSTox Substance ID: DTXSID30205369
• Nikkaji Number: J24.448A
• Wikidata: Q72493510
• Mol file: 5683-43-2.mol

Synonyms:2-Methyl-6-nitrobenzoxazole;2-methyl-6-nitro-1,3-benzoxazole;5683-43-2;MFCD00022848;2-methyl-6-nitro-benzoxazole;EINECS 227-149-6;benzoxazole, 2-methyl-6-nitro-;2-methyl-6-nitrobenzo[d]oxazole;Oprea1_395144;SCHEMBL2062399;DTXSID30205369;STL377262;AKOS002303444;PB43079;s10437;SY018720;CS-0030386;FT-0635807;EN300-21909;A869836;12T-0885;J-510026

Chemical Property of 2-Methyl-6-nitrobenzoxazole

Chemical Property:

• Vapor Pressure: 1.17E-12mmHg at 25°C
• Melting Point: 157-158°C
• Boiling Point: 303.1°Cat760mmHg
• PKA: -1.45±0.30(Predicted)
• Flash Point: 137.1°C
• PSA: 71.85000
• Density: 1.395g/cm³
• LogP: 2.56760
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in oils. Insoluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 178.03784206
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% Haccp,,Halal,SC US FDA GMP ISO14001 ^*data from raw suppliers

2-Methyl-6-nitro-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-]
• Uses: 2-Methyl-6-nitrobenzoxazole is used as a flavoring agents.

Technology Process of 2-Methyl-6-nitrobenzoxazole

There total 11 articles about 2-Methyl-6-nitrobenzoxazole 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: 96.0%

acetic anhydride (108-24-7) + 5-Nitro-2-aminophenol (121-88-0) → 2-methyl-6-nitrobenzoxazole (5683-43-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃;

DOI:10.1016/S0040-4039(99)01668-8

Reference yield: 85.0%

acetyl chloride (75-36-5) + 5-Nitro-2-aminophenol (121-88-0) → 2-methyl-6-nitrobenzoxazole (5683-43-2)

Guidance literature:

With pyridine; In 5,5-dimethyl-1,3-cyclohexadiene; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.jphotochem.2018.05.013

Reference yield: 85.0%

N-(2-hydroxy-4-nitrophenyl)acetamide (25351-89-7) → 2-methyl-6-nitrobenzoxazole (5683-43-2)

Guidance literature:

With Amberlyst-15; In water; at 90 ℃; for 1h; Irradiation;

DOI:10.1080/00397911.2013.769605

upstream raw materials:

2-methyl-1,3-benzoxazole

4-nitrophenyl azide

acetic acid

acetic anhydride

Downstream raw materials:

5-Nitro-2-aminophenol

Refernces

• 1、 Qu, Cong,Gao, Zheng,Chen, Yi. "Synthesis of 9,10-distyrylanthracene derivative and its one- and two-photon induced emission in solid state". . p. 62 - 66. Retrieved 2018/05/23.
• 2、 Barbero, Margherita,Cadamuro, Silvano,Dughera, Stefano. "The efficient o-benzenedisulfonimide catalysed synthesis of benzothiazoles, benzoxazoles and benzimidazoles". . p. 262 - 279. Retrieved 2013/02/25.