2-Bromo-4-methoxy-6-nitrophenol

Base Information

• Chemical Name: 2-Bromo-4-methoxy-6-nitrophenol
• CAS No.: 115929-59-4
• Molecular Formula: C7H6BrNO4
• Molecular Weight: 248.033
• Hs Code.: 2909500000
• European Community (EC) Number: 601-397-9
• DSSTox Substance ID: DTXSID80460567
• Wikidata: Q82284650
• Mol file: 115929-59-4.mol

Synonyms:2-Bromo-4-methoxy-6-nitrophenol;115929-59-4;2-Bromo-4-methoxy-6-nitrobenzenol;Phenol, 2-bromo-4-methoxy-6-nitro-;MFCD06797984;Phenol,2-bromo-4-methoxy-6-nitro-;2-bromo-4-methoxy-6-nitro-phenol;SCHEMBL4468567;DTXSID80460567;GAVVLRJHVWIDPK-UHFFFAOYSA-N;AMY37236;CS-D0257;AKOS005071588;AA-0832;2-Bromo-4-methoxy-6-nitrophenol, 97%;SY112063;B4723;FT-0642823;A11920;A803513;J-003337

Chemical Property of 2-Bromo-4-methoxy-6-nitrophenol

Chemical Property:

• Vapor Pressure: 0.00139mmHg at 25°C
• Melting Point: 116-120 °C (lit.)
• Refractive Index: 1.618
• Boiling Point: 288 °C at 760 mmHg
• Flash Point: 128 °C
• PSA: 75.28000
• Density: 1.773 g/cm³
• LogP: 2.59470
• Solubility.: soluble in Acetone
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.94802
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

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

2-Bromo-4-methoxy-6-nitrophenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-methoxy-6-nitrophenol

There total 3 articles about 2-Bromo-4-methoxy-6-nitrophenol 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: 95.0%

4-methoxy-2-nitrophenol (1568-70-3) → 6-bromo-4-methoxy-2-nitrophenol (115929-59-4)

Guidance literature:

With bromine; potassium bromide; In water; acetic acid; at 20 ℃; for 1h;

DOI:10.1021/jo302389s

Reference yield:

2-bromo-4-methoxyphenol (17332-11-5) → 6-bromo-4-methoxy-2-nitrophenol (115929-59-4)

Guidance literature:

With nitric acid; In ethyl acetate; at 0 - 20 ℃; for 10h;

Reference yield:

4-methoxy-phenol (150-76-5) → 6-bromo-4-methoxy-2-nitrophenol (115929-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid / acetic acid / 1 h / 20 °C

2: bromine; potassium bromide / water; acetic acid / 1 h / 20 °C

With bromine; nitric acid; potassium bromide; In water; acetic acid;

DOI:10.1021/jo302389s

upstream raw materials:

4-methoxy-2-nitrophenol

4-methoxy-phenol

2-bromo-4-methoxyphenol

Downstream raw materials:

6-bromo-1,4-dimethoxy-2-nitrobenzene

7-bromo-2-(6-benzyloxypyridin-3-yl)-5-methoxy-1,3-benzoxazole

7-bromo-5-methoxy-2-methyl-1,3-benzoxazole

2-bromo-6-[(3-fluoro-4-methoxybenzoyl)amino]-4-methoxyphenyl-3-fluoro-4-methoxybenzoate

Refernces

• 1、 -. "THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES". Paragraph 0130. . Retrieved 2021/05/06.
• 2、 Ramesh, Subburethinam,Nagarajan, Rajagopal. "A formal synthesis of lavendamycin methyl ester, nitramarine, and their analogues: A povarov approach". . p. 545 - 558. Retrieved 2013/03/14.