1,2-Dibutoxy-4-nitrobenzene

Base Information

• Chemical Name: 1,2-Dibutoxy-4-nitrobenzene
• CAS No.: 4956-77-8
• Molecular Formula: C14H21NO4
• Molecular Weight: 267.325
• DSSTox Substance ID: DTXSID60408740
• Wikidata: Q82214326
• Mol file: 4956-77-8.mol

Synonyms:1,2-dibutoxy-4-nitrobenzene;4956-77-8;SCHEMBL5171515;DTXSID60408740;IAIKYWPFNZRZMG-UHFFFAOYSA-N;AKOS024325316

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

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 267.14705815
• Heavy Atom Count: 19
• Complexity: 254

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])OCCCC

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

There total 5 articles about 1,2-Dibutoxy-4-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: 55.0%

1,2-dibutoxybenzene (20367-35-5) → 3,4-di(butyloxy)nitrobenzene (4956-77-8)

Guidance literature:

With nitric acid; sodium nitrite; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo0712650

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3,4-di(butyloxy)nitrobenzene (4956-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq.-ethanolic KOH

2: acetic acid; aqueous HNO₃

With potassium hydroxide; nitric acid; acetic acid;

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3,4-di(butyloxy)nitrobenzene (4956-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / 2-methoxy-ethanol

2: (nitration)

With potassium hydroxide; In 2-methoxy-ethanol;

upstream raw materials:

1,2-dibutoxybenzene

benzene-1,2-diol

Downstream raw materials:

3,4-di(butyloxy)aniline

acetic acid-(3,4-dibutoxy-anilide)

acetic acid-(4,5-dibutoxy-2-nitro-anilide)

2-(3,4-Dibutoxy-phenylamino)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester