2-BROMO-5-NITROANISOLE

Base Information

• Chemical Name: 2-BROMO-5-NITROANISOLE
• CAS No.: 77337-82-7
• Molecular Formula: C7H6 Br N O3
• Molecular Weight: 232.034
• Hs Code.: 29093090
• European Community (EC) Number: 278-669-5
• NSC Number: 405572
• UNII: 55S5YMP2XF
• DSSTox Substance ID: DTXSID50228070
• Nikkaji Number: J307.947C
• Wikidata: Q72448467
• Mol file: 77337-82-7.mol

Synonyms:1-Bromo-2-methoxy-4-nitrobenzene;2-Bromo-5-nitroanisole; 4-Bromo-3-methoxynitrobenzene; NSC 405572

Chemical Property of 2-BROMO-5-NITROANISOLE

Chemical Property:

• Appearance/Colour: light brown crystalline powder
• Vapor Pressure: 0.00181mmHg at 25°C
• Melting Point: 99-103 °C
• Boiling Point: 302.1oC at 760 mmHg
• Flash Point: 136.5oC
• PSA: 55.05000
• Density: 1.64g/cm3
• LogP: 2.88910
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 2.8
• 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

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-BROMO-5-NITROANISOLE

There total 8 articles about 2-BROMO-5-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: 100.0%

2-bromo-5-nitrophenol (52427-05-1) + dimethyl sulfate (77-78-1) → 1-bromo-2-methoxy-4-nitrobenzene (77337-82-7)

Guidance literature:

2-bromo-5-nitrophenol; With lithium hydroxide; In tetrahydrofuran; at 0 ℃; for 1h;

dimethyl sulfate; at 20 ℃;

Reference yield: 97.0%

2-methoxy-4-nitrophenylamine (97-52-9) → 1-bromo-2-methoxy-4-nitrobenzene (77337-82-7)

Guidance literature:

2-methoxy-4-nitrophenylamine; With sulfuric acid; sodium nitrite; In water; at 8 ℃;

With hydrogen bromide; copper(I) bromide; In water; at 40 - 65 ℃;

Reference yield: 96.0%

2-bromo-5-nitrophenol (52427-05-1) + methyl iodide (74-88-4) → 1-bromo-2-methoxy-4-nitrobenzene (77337-82-7)

Guidance literature:

2-bromo-5-nitrophenol; With potassium carbonate; caesium carbonate; In N,N-dimethyl-formamide; at 40 ℃; for 0.166667h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 40 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja208967h

upstream raw materials:

2-bromo-5-nitrophenol

dimethyl sulfate

2-methoxy-4-nitrophenylamine

diazomethane

Downstream raw materials:

5-(2-methoxy-4-nitrophenyl)thiazole

C₂₄H₂₄ClN₅O₂*ClH

Refernces

• 1、 -. "ARYL AMIDE KINASE INHIBITORS". Page/Page column 193; 194. . Retrieved 2015/02/02.
• 2、 Vajpayee, Vaishali,Moon, Mi Eun,Lee, Sunmi,Ravikumar, Sambandam,Kim, Hyunuk,Ahn, Byungchan,Choi, Seoyoon,Hong, Soon Ho,Chi, Ki-Whan. "Halogenation and DNA cleavage via thermally stable arenediazonium camphorsulfonate salts". . p. 3511 - 3517. Retrieved 2013/04/23.