1,4-Diethoxy-2-nitrobenzene

Base Information

• Chemical Name: 1,4-Diethoxy-2-nitrobenzene
• CAS No.: 119-23-3
• Molecular Formula: C10H13 N O4
• Molecular Weight: 211.218
• European Community (EC) Number: 204-308-8
• NSC Number: 81234
• UNII: 9SQ89QGV7G
• DSSTox Substance ID: DTXSID7059484
• Nikkaji Number: J150.335I
• Wikidata: Q81988826
• Mol file: 119-23-3.mol

Synonyms:1,4-Diethoxy-2-nitrobenzene;119-23-3;2,5-Diethoxynitrobenzene;Benzene, 1,4-diethoxy-2-nitro-;9SQ89QGV7G;EINECS 204-308-8;NSC 81234;NSC-81234;1-NITRO-2,5-DIETHOXYBENZENE;NSC81234;UNII-9SQ89QGV7G;2-Nitro-1,4-diethoxybenzol;2,5-Diethoxy-1-nitrobenzene;Benzene,4-diethoxy-2-nitro-;Nitrohydroquinone diethyl ether;1,4-diethoxy-2-nitro-benzene;SCHEMBL3994737;DTXSID7059484;2-Nitrohydroquinone diethyl ether;MFCD00007100;AKOS016846192;BS-42522;1,4-Diethoxy-2-nitro-benzene, AldrichCPR;CS-0442278;FT-0631678;A804228;W-109437

Chemical Property of 1,4-Diethoxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 48-51 °C(lit.)
• Refractive Index: 1.5310 (estimate)
• Boiling Point: 169 °C13 mm Hg(lit.)
• Flash Point: 154.7°C
• PSA: 64.28000
• Density: 1.158g/cm³
• LogP: 2.91540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diethoxynitrobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)OCC)[N+](=O)[O-]

Technology Process of 1,4-Diethoxy-2-nitrobenzene

There total 4 articles about 1,4-Diethoxy-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%

→ 2,5-diethoxy-1-nitrobenzene (119-23-3)

Guidance literature:

With chloro-trimethyl-silane; copper(ll) sulfate pentahydrate; guanidine nitrate; In acetonitrile; at 20 ℃;

Reference yield: 92.0%

1,4-diethoxybenzene (122-95-2) → 2,5-diethoxy-1-nitrobenzene (119-23-3)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 20 ℃; for 1h;

Reference yield:

dichloromethane (75-09-2) + 1,4-diethoxybenzene (122-95-2) → 2,5-diethoxy-1-nitrobenzene (119-23-3) + 2-chloro-1,4-diethoxybenzene (52196-74-4)

Guidance literature:

at -80 ℃;

DOI:10.1039/jr9580001952

upstream raw materials:

1,4-diethoxybenzene

dichloromethane

hydroquinone

Downstream raw materials:

4-ethoxy-2-nitrophenol

4-Nitro-2,5-diethoxy-morpholinbenzen

2-Morpholino-3,6-diethoxy-nitrobenzene

2,5-Diethoxy-acetanilid

Refernces

• 1、 -. "Direct nitration method of electron-enriched aromatic hydrocarbons". Paragraph 0060-0062. . Retrieved 2018/10/02.