3,5-Dimethyl-4-nitrobenzaldehyde

Base Information

• Chemical Name: 3,5-Dimethyl-4-nitrobenzaldehyde
• CAS No.: 18515-18-9
• Molecular Formula: C9H9 N O3
• Molecular Weight: 179.175
• Hs Code.: 2913000090
• ChEMBL ID: CHEMBL1879130
• DSSTox Substance ID: DTXSID40505822
• Nikkaji Number: J1.102.017H
• Wikidata: Q82361162
• Mol file: 18515-18-9.mol

Synonyms:3,5-Dimethyl-4-nitrobenzaldehyde;18515-18-9;SCHEMBL1814040;CHEMBL1879130;DTXSID40505822;SJMJTTXKHFIOEV-UHFFFAOYSA-N;NCGC00188182-01

Chemical Property of 3,5-Dimethyl-4-nitrobenzaldehyde

Chemical Property:

• PSA: 62.89000
• LogP: 2.54730
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C=O

Technology Process of 3,5-Dimethyl-4-nitrobenzaldehyde

There total 8 articles about 3,5-Dimethyl-4-nitrobenzaldehyde 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%

(3,5-dimethyl-4-nitrophenyl)methanol (18515-22-5) → 3,5-dimethyl-4-nitrobenzaldehyde (18515-18-9)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetic acid; for 0.5h; Heating;

DOI:10.1021/jo00183a024

Reference yield: 30.0%

4-Nitro-32,5-dimethyl-1-(diacetoxymethyl)-benzol (18515-19-0) → 3,5-dimethyl-4-nitrobenzaldehyde (18515-18-9)

Guidance literature:

With sulfuric acid; In ethanol; water;

DOI:10.1039/P19810000423

Reference yield:

nitromesitylene (603-71-4,34505-32-3,82795-90-2) → 3,5-dimethyl-4-nitrobenzaldehyde (18515-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 34 percent / chromium trioxide, conc. sulphuric acid / acetic acid / 5 - 8 °C

2: 30 percent / sulphuric acid / H₂O; ethanol

With chromium(VI) oxide; sulfuric acid; In ethanol; water; acetic acid;

DOI:10.1039/P19810000423

upstream raw materials:

nitromesitylene

4-Nitro-32,5-dimethyl-1-(diacetoxymethyl)-benzol

methanol

3,5-dimethyl-4-nitrobenzylidene dichloride

Downstream raw materials:

(3,5-dimethyl-4-nitrophenyl)methanol

3,5-dimethyl-4-nitrobenzylidene dichloride

(E)-9-(3,5-dimethyl-4-nitrostyryl)acridine

(3,5-Dimethyl-4-nitro-benzyl)-(2,4,6-trimethyl-phenyl)-amine