3-Bromo-2-nitroanisole

Base Information

• Chemical Name: 3-Bromo-2-nitroanisole
• CAS No.: 500298-30-6
• Molecular Formula: C7H6BrNO3
• Molecular Weight: 232.034
• Hs Code.: 2909309090
• European Community (EC) Number: 679-555-1
• NSC Number: 88011
• DSSTox Substance ID: DTXSID10293244
• Nikkaji Number: J3.152.116E
• Wikidata: Q72448464
• Mol file: 500298-30-6.mol

Synonyms:3-Bromo-2-nitroanisole;500298-30-6;1-Bromo-3-methoxy-2-nitrobenzene;2-Bromo-6-methoxynitrobenzene;Benzene, 1-bromo-3-methoxynitro-;MFCD11101044;bromonitroanisol;NSC88011;NCIOpen2_005349;SCHEMBL103199;DTXSID10293244;ORSPVBUIPTYLLO-UHFFFAOYSA-N;NSC-88011;AKOS015834103;AM61557;Benzene, 1-bromo-3-methoxy-2-nitro-;CS-W009366;PS-4756;SY035736;B3486;FT-0675958;A871681

Chemical Property of 3-Bromo-2-nitroanisole

Chemical Property:

• Vapor Pressure: 0.0116mmHg at 25°C
• Melting Point: 72.0 to 76.0 °C
• Refractive Index: 1.581
• Boiling Point: 270.1 °C at 760 mmHg
• Flash Point: 117.1 °C
• PSA: 55.05000
• Density: 1.64 g/cm³
• LogP: 2.88910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.95311
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-2-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)Br)[N+](=O)[O-]

Technology Process of 3-Bromo-2-nitroanisole

There total 1 articles about 3-Bromo-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:

3-bromo-2-nitro-phenol (76361-99-4) + dimethyl sulfate (77-78-1) → 2-bromo-6-methoxynitrobenzene (500298-30-6)

Guidance literature:

With sodium carbonate; toluene;

Reference yield: 92.0%

2-bromo-6-methoxynitrobenzene (500298-30-6) + 2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (126726-62-3) → 1-methoxy-2-nitro-3-(prop-1-en-2-yl)benzene (1026986-34-4)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; palladium diacetate; In tetrahydrofuran; water; at 50 ℃; Inert atmosphere;

DOI:10.1055/s-0040-1707250

Reference yield: 91.0%

propiophenone N-tosylhydrazone (17336-66-2) + 2-bromo-6-methoxynitrobenzene (500298-30-6) → 6-methoxy-1-nitro-2-(1-phenyl-1-propen-1-yl)benzene

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; lithium tert-butoxide; In 1,4-dioxane; at 100 ℃; for 7h; Inert atmosphere;

DOI:10.1016/j.tet.2021.132331

upstream raw materials:

3-bromo-2-nitro-phenol

dimethyl sulfate

Downstream raw materials:

1-methoxy-2-nitro-3-o-tolyloxy-benzene

2-(3-methoxy-2-nitro-phenoxy)-benzoic acid

2-(3-methoxy-2-nitro-phenoxy)-benzoic acid methyl ester

phenazine-1,6-diol