1,2,3-TRIMETHYL-5-NITRO-BENZENE

Base Information

• Chemical Name: 1,2,3-TRIMETHYL-5-NITRO-BENZENE
• CAS No.: 52414-95-6
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2904209090
• Mol file: 52414-95-6.mol

Synonyms:1,2,3-Trimethyl-5-nitrobenzene;5-Nitro-1,2,3-trimethylbenzene; NSC 210784

Chemical Property of 1,2,3-TRIMETHYL-5-NITRO-BENZENE

Chemical Property:

• Vapor Pressure: 0.00469mmHg at 25°C
• Melting Point: 69-71 °C
• Boiling Point: 285.9°Cat760mmHg
• Flash Point: 131°C
• PSA: 45.82000
• Density: 1.1g/cm³
• LogP: 3.04320
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

1-NITRO-3,4,5-TRIMETHYLBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 1,2,3-TRIMETHYL-5-NITRO-BENZENE

There total 6 articles about 1,2,3-TRIMETHYL-5-NITRO-BENZENE 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: 95.0%

trifluoromethanesulfonic acid 3,4,5-trimethylphenyl ester (357193-27-2) → 3,4,5-trimethyl-1-nitrobenzene (52414-95-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; t-BuBrettPhos; tris(3,5-dioxaheptyl)amine; sodium nitrite; In tert-butyl alcohol; at 130 ℃; for 24h; regioselective reaction;

DOI:10.1021/ja905768k

Reference yield: 95.0%

→ 3,4,5-trimethyl-1-nitrobenzene (52414-95-6)

Guidance literature:

Reference yield:

1,2,3-trimethylbenzene (526-73-8) → 2,3,4-trimethyl-1-nitrobenzene (1128-19-4) + 3,4,5-trimethyl-1-nitrobenzene (52414-95-6)

Guidance literature:

With silver nitrate; boron trifluoride; In acetonitrile; at 25 ℃; for 5h; Product distribution; competitive nitration benzene, relative rate;

DOI:10.1021/jo00330a032

upstream raw materials:

1,2,3-trimethylbenzene

3,4,5-trimethylaniline

sulfuric acid

nitric acid

Downstream raw materials:

3,4,5-trimethylaniline

Refernces

• 1、 Fors, Brett P.,Buchwald, Stephen L.. "Pd-catalyzed conversion of aryl chlorides, triflates, and nonaflates to nitroaromatics". supporting information; experimental part. p. 12898 - 12899. Retrieved 2009/12/07.
• 2、 Olah, George A.,Fung, Alexander P.,Narang, Subhash C.,Olah, Judith A.. "Aromatic Substitution. 48. Boron Trifluoride Catalyzed Nitration of Aromatics with Silver Nitrate in Acetonitrile Solution". . p. 3533 - 3537. Retrieved 2007/10/02.