1-(Dibutoxymethyl)-3-nitrobenzene

Base Information

• Chemical Name: 1-(Dibutoxymethyl)-3-nitrobenzene
• CAS No.: 86453-93-2
• Molecular Formula: C15H23NO4
• Molecular Weight: 281.352
• DSSTox Substance ID: DTXSID10557898
• Wikidata: Q82439956
• Mol file: 86453-93-2.mol

Synonyms:1-(DIBUTOXYMETHYL)-3-NITROBENZENE;86453-93-2;DTXSID10557898

Chemical Property of 1-(Dibutoxymethyl)-3-nitrobenzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 281.16270821
• Heavy Atom Count: 20
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(C1=CC(=CC=C1)[N+](=O)[O-])OCCCC

Technology Process of 1-(Dibutoxymethyl)-3-nitrobenzene

There total 1 articles about 1-(Dibutoxymethyl)-3-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:

3-nitro-benzaldehyde (99-61-6) + butan-1-ol (71-36-3) → 3-nitrobenzaldehyde di-n-butyl acetal (86453-93-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Reflux;

DOI:10.1016/j.bmcl.2011.05.126

Reference yield:

3-nitrobenzaldehyde di-n-butyl acetal (86453-93-2) → 1-butylene (106-98-9,9003-28-5) + n-butyl 3-nitrobenzoate (6268-25-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 39.9 ℃; Rate constant; Thermodynamic data; E_a, ΔH(excit.), ΔS(excit.), ΔG(excit.);

Reference yield:

3-nitrobenzaldehyde di-n-butyl acetal (86453-93-2) → 1-bromo-butane (109-65-9) + n-butyl 3-nitrobenzoate (6268-25-3)

Guidance literature:

With N-Bromosuccinimide; sodium perchlorate; In acetonitrile; at 39.84 ℃; for 24h; Concentration; Solvent; Temperature; Activation energy; Kinetics; Mechanism;

upstream raw materials:

3-nitro-benzaldehyde

butan-1-ol

Downstream raw materials:

1-butylene

n-butyl 3-nitrobenzoate

3-nitro-benzaldehyde

1-Butoxymethyl-3-nitro-benzene