4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE

Base Information

• Chemical Name: 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE
• CAS No.: 6279-89-6
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.272
• Hs Code.: 2904209090
• Mol file: 6279-89-6.mol

Synonyms:m-Xylene,5-tert-butyl-2-nitro- (6CI,7CI,8CI); 4-tert-Butyl-2,6-dimethyl-1-nitrobenzene;4-tert-Butyl-2,6-dimethylnitrobenzene;5-tert-Butyl-1,3-dimethyl-2-nitrobenzene; NSC 11015

Chemical Property of 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE

Chemical Property:

• Vapor Pressure: 0.00696mmHg at 25°C
• Melting Point: 84-85 °C
• Boiling Point: 279.1°C at 760 mmHg
• Flash Point: 106.5°C
• PSA: 45.82000
• Density: 1.033g/cm³
• LogP: 4.03230

Purity/Quality:

99%min ^*data from raw suppliers

5-tert-Butyl-1,3-dimethyl-2-nitro-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE

There total 7 articles about 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE 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: 75.0%

5-tert-Butyl-m-xylene (98-19-1) → 2-Nitro-5-tert-butyl-m-xylene (6279-89-6)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid; at 25 ℃;

Reference yield: 37.0%

4,4'-di-tert-butyl-2,2',6,6'-tetramethyldiphenylmethane (65338-71-8) → 2-Nitro-5-tert-butyl-m-xylene (6279-89-6) + 4-tert-butyl-2,2',6,6'-tetramethyl-3-nitrodiphenylmethane + 4,4'-di-tert-butyl-2,2',6,6'-tetramethyl-3-nitrodiphenyl (76947-21-2)

Guidance literature:

With nitric acid; In nitromethane; at 50 - 60 ℃; for 3h;

DOI:10.1021/jo00324a032

Reference yield: 7.0%

4,4'-di-tert-butyl-2,2',6,6'-tetramethyldiphenylmethane (65338-71-8) → 2-Nitro-5-tert-butyl-m-xylene (6279-89-6) + 4,4'-di-tert-butyl-2,2',6,6'-tetramethyl-3,3'-dinitrodiphenylmethane (76947-22-3)

Guidance literature:

With sulfuric acid; nitric acid; In nitromethane; at 2 ℃; for 1.5h;

DOI:10.1021/jo00324a032

upstream raw materials:

5-tert-Butyl-m-xylene

4,4'-di-tert-butyl-2,2',6,6'-tetramethyldiphenylmethane

acetic anhydride

m-xylene

Downstream raw materials:

2,6-Dimethyl-4-tert-butylphenylisocyanat

2,6-dimethyl-4-tert-butylaniline

4-tert-butyl-2,6-dimethyl-3,5-dinitro-benzonitrile

4-tert-butyl-2,6-dimethyl-N-phenylaniline

Refernces

• 1、 Small, Brooke L.,Rios, Ray,Fernandez, Eric R.,Gerlach, Deidra L.,Halfen, Jason A.,Carney, Michael J.. "Oligomerization of ethylene using new tridentate iron catalysts bearing α-diimine ligands with pendant S and P donors". experimental part. p. 6723 - 6731. Retrieved 2011/03/17.
• 2、 Yamato, Takehiko,Arimura, Takashi,Tashiro, Masashi. "Metacyclophanes and Related Compounds. Part 16. Preparation of 8-Fluoro-t-butylmetacyclophanes and their Treatment with Aluminium Chloride-Nitromethane in Benzene". . p. 1 - 8. Retrieved 2007/10/02.