1,3-Dimethoxy-2-nitrobenzene

Base Information

• Chemical Name: 1,3-Dimethoxy-2-nitrobenzene
• CAS No.: 6665-97-0
• Molecular Formula: C8H9 N O4
• Molecular Weight: 183.164
• Hs Code.: 2909309090
• NSC Number: 291284
• DSSTox Substance ID: DTXSID60315026
• Nikkaji Number: J154.683J
• Wikidata: Q72468127
• Mol file: 6665-97-0.mol

Synonyms:1,3-Dimethoxy-2-nitrobenzene;6665-97-0;2,6-Dimethoxynitrobenzene;Benzene, 1,3-dimethoxy-2-nitro-;MFCD00474587;NSC291284;2,6-Dimethoxy nitrobenzene;2-Nitroresorcindimethylaether;SCHEMBL1961457;1,3-Dimethoxy-2-nitro-benzene;2,6-Dimethoxynitrobenzene 98%;DTXSID60315026;1,3-Dimethoxy-2-nitrobenzene #;AKOS006228428;AM61622;NSC 291284;NSC-291284;BS-29304;SY023632;CS-0206247;FT-0715588;A867411

Chemical Property of 1,3-Dimethoxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000855mmHg at 25°C
• Melting Point: 129-133°C
• Boiling Point: 315℃
• Flash Point: 154℃
• PSA: 64.28000
• Density: 1.226
• LogP: 2.13520
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethoxy-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dimethoxy-2-nitrobenzene

There total 9 articles about 1,3-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: 99.0%

2-nitroresorcinol (601-89-8) + dimethyl sulfate (77-78-1) → 1,3-dimethoxy-2-nitrobenzene (6665-97-0)

Guidance literature:

With potassium carbonate; In acetone; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2011.08.047

Reference yield: 97.0%

2-nitroresorcinol (601-89-8) + methyl iodide (74-88-4) → 1,3-dimethoxy-2-nitrobenzene (6665-97-0)

Guidance literature:

With potassium carbonate; In acetone; at 60 - 70 ℃;

Reference yield: 55.0%

Trimethyl borate (121-43-7,63156-11-6) + potassium 4-methoxy-3-nitrobenzoate → 1,3-dimethoxy-2-nitrobenzene (6665-97-0)

Guidance literature:

With oxygen; copper diacetate; silver carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 36h; under 760.051 Torr;

DOI:10.1002/anie.201208755

upstream raw materials:

2-nitroresorcinol

dimethyl sulfate

1,3-Dimethoxybenzene

methyl iodide

Downstream raw materials:

2,6-dimethoxyaniline

C₄₁H₂₉NO₅

C₃₂H₂₅NO₅

3-(2,6-dimethoxyphenyl)-2-methyl-3H-quinazolin-4-one

Refernces

• 1、 -. "Compounds for modulating TRPV3 function". Page/Page column 155. . Retrieved 2016/11/24.
• 2、 Bhadra, Sukalyan,Dzik, Wojciech I.,Goossen, Lukas J.. "Synthesis of aryl ethers from aromatic carboxylic acids". supporting information. p. 2387 - 2390. Retrieved 2013/09/23.