3,5-diMethyl-2-nitrobenzoic acid

Base Information

• Chemical Name: 3,5-diMethyl-2-nitrobenzoic acid
• CAS No.: 52095-18-8
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Mol file: 52095-18-8.mol

Synonyms:

Chemical Property of 3,5-diMethyl-2-nitrobenzoic acid

Chemical Property:

• Boiling Point: 363.5±30.0 °C(Predicted)
• PKA: 2.28±0.25(Predicted)
• PSA: 83.12000
• Density: 1.333±0.06 g/cm3(Predicted)
• LogP: 2.43300

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dimethyl-2-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-diMethyl-2-nitrobenzoic acid

There total 8 articles about 3,5-diMethyl-2-nitrobenzoic acid 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: 93.0%

3,5-dimethylbenzoic acid (499-06-9) → 3,5-dimethyl-2-nitrobenzoic acid (52095-18-8)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; at 80 ℃; for 0.5h;

DOI:10.1021/jo201491q

Reference yield: 47.0%

3,5-dimethylanthranilic acid (14438-32-5) → 3,5-dimethyl-2-nitrobenzoic acid (52095-18-8)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/acs.orglett.0c02898

Reference yield:

nitromesitylene (603-71-4,34505-32-3,82795-90-2) → 3,5-dimethyl-4-nitrobenzoic acid (3095-38-3) + 3,5-dimethyl-2-nitrobenzoic acid (52095-18-8)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; acetic acid; for 0.5h; Title compound not separated from byproducts; Heating;

DOI:10.1021/jm030528p

upstream raw materials:

3,5-dimethylbenzoic acid

nitric acid

nitromesitylene

1,3,5-trimethyl-benzene

Downstream raw materials:

N-(2,2-dimethylpropyl)-3,5-dimethyl-2-nitrobenzamide

2-(3,5-dimethyl-2-nitrophenyl)acetonitrile

1-(bromomethyl)-3,5-dimethyl-2-nitrobenzene

Refernces

• 1、 San Jang, Su,Kim, Young Ho,Youn, So Won. "Divergent Syntheses of Indoles and Quinolines Involving N1-C2-C3 Bond Formation through Two Distinct Pd Catalyses". supporting information. p. 9151 - 9157. Retrieved 2020/11/03.
• 2、 Moorthy, Jarugu Narasimha,Senapati, Kalyan,Parida, Keshaba Nanda,Jhulki, Samik,Sooraj, Kunnikuruvan,Nair, Nisanth N.. "Twist does a twist to the reactivity: Stoichiometric and catalytic oxidations with twisted tetramethyl-IBX". experimental part. p. 9593 - 9601. Retrieved 2012/01/03.