1,3,5-Triethyl-2-nitrobenzene

Base Information

• Chemical Name: 1,3,5-Triethyl-2-nitrobenzene
• CAS No.: 13402-30-7
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• DSSTox Substance ID: DTXSID70533077
• Wikidata: Q82406153
• Mol file: 13402-30-7.mol

Synonyms:1,3,5-Triethyl-2-nitrobenzene;13402-30-7;DTXSID70533077;1,3,5-tri-ethyl-2-nitrobenzene

Chemical Property of 1,3,5-Triethyl-2-nitrobenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1)CC)[N+](=O)[O-])CC

Technology Process of 1,3,5-Triethyl-2-nitrobenzene

There total 5 articles about 1,3,5-Triethyl-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: 76.0%

1,3,5-triethylbenzene (102-25-0) → 2-nitro-1,3,5-triethylbenzene (13402-30-7)

Guidance literature:

With nitric acid; acetic acid; at 20 ℃; for 2h;

DOI:10.1021/jo101717m

Reference yield:

1,3,5-triethylbenzene (102-25-0) → 2-nitro-1,3,5-triethylbenzene (13402-30-7)

Guidance literature:

With nitric acid; at 25 - 30 ℃;

DOI:10.1021/ja01278a014

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-nitro-1,3,5-triethylbenzene (13402-30-7)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: 70 percent / nitration (method of Powell and Johnson in "Organic Syntheses"; Wiley: New York, 1955; Collect_. Vol_. 3, p. 449)

With aluminium trichloride;

DOI:10.1021/jo00183a024

upstream raw materials:

1,3,5-triethylbenzene

2-iodo-1,3,5-triethylbenzene

nitric acid

benzene

Downstream raw materials:

2,4,6-triethylbenzenamine

(2S,4R)-4-hydroxy-N-(2,4,6-triethylphenyl)pyrrolidine-2-carboxamide

(S)-N-(2,4,6-triethylbenzene)pyrrolidine-2-carboxamide

benzoic acid-(2,4,6-triethyl-anilide)