2-Chloro-6-nitroanisole

Base Information

• Chemical Name: 2-Chloro-6-nitroanisole
• CAS No.: 80866-77-9
• Molecular Formula: C7H6ClNO3
• Molecular Weight: 187.583
• Hs Code.: 2909309090
• European Community (EC) Number: 279-580-4
• DSSTox Substance ID: DTXSID801001592
• Nikkaji Number: J160.877K
• Wikidata: Q82995562
• Mol file: 80866-77-9.mol

Synonyms:2-Chloro-6-nitroanisole;80866-77-9;1-Chloro-2-methoxy-3-nitrobenzene;EINECS 279-580-4;MFCD00065066;Benzene, 1-chloro-2-methoxy-3-nitro-;Anisole, 2-chloro-6-nitro-;SCHEMBL3721283;DTXSID801001592;1-Chloro-2-methoxy-3-nitrobenzene #;AKOS003368882;CS-W016841;AC-22669;AS-18056;SY106996;A9968;FT-0712494;AN-584/43342874

Chemical Property of 2-Chloro-6-nitroanisole

Chemical Property:

• Vapor Pressure: 0.00798mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 276.7 °C at 760 mmHg
• Flash Point: 121.1 °C
• PSA: 55.05000
• Density: 1.366 g/cm³
• LogP: 2.78000
• 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: 187.0036207
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

99.3% ^*data from raw suppliers

2-Chloro-6-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=C1Cl)[N+](=O)[O-]

Technology Process of 2-Chloro-6-nitroanisole

There total 11 articles about 2-Chloro-6-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: 85.0%

1,2-Dichloro-3-nitrobenzene (3209-22-1) + sodium methylate (124-41-4) → 1-chloro-2-methoxy-3-nitro-benzene (80866-77-9)

Guidance literature:

With diisopropylamine; In methanol; at 60 ℃; for 5h; Temperature; Solvent;

Reference yield:

2-Chloroanisole (766-51-8) → 2-chloro-4-nitroanisole (4920-79-0) + 1-chloro-2-methoxy-3-nitro-benzene (80866-77-9)

Guidance literature:

With nitric acid; acetic anhydride;

DOI:10.1021/ja01323a043

Reference yield:

methyl bromide (74-83-9) + 2-chloro-6-nitrophenol (603-86-1) → 1-chloro-2-methoxy-3-nitro-benzene (80866-77-9)

Guidance literature:

With potassium sulfate;

upstream raw materials:

methanol

1,2-Dichloro-3-nitrobenzene

sodium methylate

2,3-dinitrochlorobenzene

Downstream raw materials:

acetic acid-(3-chloro-2-methoxy-anilide)

3-chloro-2-methoxyaniline

Refernces

• 1、 -. "Preparation method of Eltrombopag". Paragraph 0013; 0014. . Retrieved 2018/04/28.