5-BROMO-2-METHYL-3-NITROBENZOIC ACID

Base Information

• Chemical Name: 5-BROMO-2-METHYL-3-NITROBENZOIC ACID
• CAS No.: 107650-20-4
• Molecular Formula: C8H6BrNO4
• Molecular Weight: 260.044
• Hs Code.: 2916399090
• Mol file: 107650-20-4.mol

Synonyms:5-Bromo-2-methyl-3-nitrobenzoicacid;

Chemical Property of 5-BROMO-2-METHYL-3-NITROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 376.983 °C at 760 mmHg
• PKA: 2?+-.0.20(Predicted)
• Flash Point: 181.793 °C
• PSA: 83.12000
• Density: 1.778 g/cm³
• LogP: 2.88710
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

5-Bromo-2-methyl-3-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-Bromo-2-methyl-3-nitrobenzoic Acid is a reactant in the preparation of EPZ005687 (E592200), a potent and selective inhibitor of EZH2.

Technology Process of 5-BROMO-2-METHYL-3-NITROBENZOIC ACID

There total 4 articles about 5-BROMO-2-METHYL-3-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: 100.0%

2-methyl-3-nitrobenzic acid (1975-50-4) → 5-bromo-2-methyl-3-nitro-benzoic acid (107650-20-4)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid; at 20 ℃; for 5h; Product distribution / selectivity;

Reference yield: 84.0%

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (77-48-5) + 2-methyl-3-nitrobenzic acid (1975-50-4) → 5-bromo-2-methyl-3-nitro-benzoic acid (107650-20-4)

Guidance literature:

With sulfuric acid; at 20 ℃; for 5h;

Reference yield:

5-bromo-2-methyl-3-nitrobenzoic acid methyl ester (220514-28-3) → 5-bromo-2-methyl-3-nitro-benzoic acid (107650-20-4)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 25 ℃;

upstream raw materials:

2-methyl-3-nitrobenzic acid

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

5-bromo-2-methyl-3-nitrobenzoic acid methyl ester

ortho-methylbenzoic acid

Downstream raw materials:

methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate

methyl 5-bromo-3-(cyclopentyl(methyl)amino)-2-methylbenzoate

5-bromo-3-(cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

5-(cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4'-formyl-4-methyl-[1,1'-biphenyl]-3-carboxamide

Refernces

• 1、 Feng, Qiang,Feng, Zhanzhan,He, Hualong,Hu, Xi,Liu, Zhihao,Teng, Fei,Yu, Luoting,Zhang, Qiangsheng. "Design and synthesis of (E)-1,2-diphenylethene-based EZH2 inhibitors". supporting information. . Retrieved 2020/01/22.
• 2、 -. "EZH2 inhibitor as well as preparation of EZH2 inhibitor and application of EZH2 inhibitor in anti-tumor treatment". Paragraph 0111-0113. . Retrieved 2019/08/20.