1-Chloro-4,5-dimethoxy-2-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-4,5-dimethoxy-2-nitrobenzene
• CAS No.: 3899-65-8
• Molecular Formula: C8H8ClNO4
• Molecular Weight: 217.609
• DSSTox Substance ID: DTXSID10488592
• Nikkaji Number: J160.893B
• Wikidata: Q82331352
• Mol file: 3899-65-8.mol

Synonyms:1-CHLORO-4,5-DIMETHOXY-2-NITROBENZENE;3899-65-8;Benzene,1-chloro-4,5-dimethoxy-2-nitro-;Benzene, 1-chloro-4,5-dimethoxy-2-nitro-;1-CHLORO-4,5-DIMETHOXY-2-NITRO-BENZENE;SCHEMBL3103536;DTXSID10488592;CPADFRBFGBIDQD-UHFFFAOYSA-N;4,5-dimethoxy 2-nitro chlorobenzene;AKOS009253387;CS-0358132;FT-0686814;A824369

Chemical Property of 1-Chloro-4,5-dimethoxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000221mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 336.3 °C at 760 mmHg
• Flash Point: 157.2 °C
• PSA: 64.28000
• Density: 1.349 g/cm³
• LogP: 2.78860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.0141854
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

1-CHLORO-4,5-DIMETHOXY-2-NITRO-BENZENE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-4,5-dimethoxy-2-nitrobenzene

There total 7 articles about 1-Chloro-4,5-dimethoxy-2-nitrobenzene 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: 90.0%

4-chloro-1,2-dimethoxybenzene (16766-27-1) → 1-chloro-4,5-dimethoxy-2-nitrobenzene (3899-65-8)

Guidance literature:

With nitric acid; acetic anhydride; at 15 ℃; for 0.5h;

Reference yield: 85.0%

4,5-dimethoxy-2-nitro-benzoic acid (4998-07-6) → 1-chloro-4,5-dimethoxy-2-nitrobenzene (3899-65-8)

Guidance literature:

With oxygen; silver carbonate; potassium hydroxide; copper dichloride; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 130 - 140 ℃;

DOI:10.1016/j.tetlet.2010.10.054

Reference yield:

1-(4,5-Dimethoxy-2-nitrophenyl)-ethanol (37942-55-5) → 1-chloro-4,5-dimethoxy-2-nitrobenzene (3899-65-8)

Guidance literature:

With 1,10-Phenanthroline; oxygen; potassium carbonate; copper dichloride; silver(l) oxide; In dimethyl sulfoxide; at 140 ℃; for 36h; under 3750.38 Torr; Autoclave;

DOI:10.1039/d0cc02306j

upstream raw materials:

4-chloro-1,2-dimethoxybenzene

nitric acid

4,5-dimethoxy-2-nitro-benzoic acid

1,2-dimethoxybenzene

Downstream raw materials:

4,5-Dimethoxy-2-nitro-phenol

4-ethoxy-6-nitro-resorcinol

4-ethoxy-5-methoxy-2-nitro-phenol

5-ethoxy-4-methoxy-2-nitro-phenol