5-FLUORO-2-METHYL-3-NITRO-BENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 5-FLUORO-2-METHYL-3-NITRO-BENZOIC ACID METHYL ESTER
• CAS No.: 697739-03-0
• Molecular Formula: C9H8FNO4
• Molecular Weight: 213.165
• Hs Code.: 2916399090
• Mol file: 697739-03-0.mol

Synonyms:methyl 5-fluoro-2-methyl-3-nitrobenzoate;

Chemical Property of 5-FLUORO-2-METHYL-3-NITRO-BENZOIC ACID METHYL ESTER

Chemical Property:

• Boiling Point: 297.7±40.0 °C(Predicted)
• PSA: 72.12000
• Density: 1.335±0.06 g/cm3(Predicted)
• LogP: 2.35210
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Slightly soluble in water. Soluble in dimethyl sulfoxide and acetone.

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

Methyl5-fluoro-2-methyl-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 5-fluoro-2-methyl-3-nitrobenzoate is used in organic synthesis and it is used in the synthesis of 6-Fluoro-4-nitroisobenzofuran-1 (3H)-one.

Technology Process of 5-FLUORO-2-METHYL-3-NITRO-BENZOIC ACID METHYL ESTER

There total 9 articles about 5-FLUORO-2-METHYL-3-NITRO-BENZOIC ACID METHYL ESTER 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: 96.0%

methanol (67-56-1) + 5-fluoro-2-methyl-3-nitrobenzoic acid (850462-64-5) → 5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester (697739-03-0)

Guidance literature:

With thionyl chloride; for 3h; Cooling with ice; Reflux;

Reference yield: 59.0%

methanol (67-56-1) + 5-fluoro-2-methylbenzoic acid (33184-16-6) → 5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester (697739-03-0)

Guidance literature:

5-fluoro-2-methylbenzoic acid; With sulfuric acid; nitric acid; at -10 - 0 ℃; for 1h;

methanol; With hydrogenchloride; Heating / reflux;

Reference yield: 25.9%

5-fluoro-2-methyl-3-nitrobenzoic acid (850462-64-5) + methyl iodide (74-88-4) → 5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester (697739-03-0)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 65h;

upstream raw materials:

methanol

5-fluoro-2-methyl-3-nitrobenzoic acid

methyl iodide

5-fluoro-2-methylbenzoic acid

Downstream raw materials:

8-(4-((dimethylamino)methyl)phenyl)-9-(1-methyl-1H-imidazol-2-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

9-(1-methyl-1H-imidazol-2-yl)-8-(4-(pyrrolidin-1-ylmethyl)phenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

6-fluoro-4-nitroisobenzofuran-1(3H)-one

4-amino-6-fluoroisobenzofuran-1(3H)-one

Refernces

• 1、 -. "ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS". Page/Page column 136. . Retrieved 2020/11/30.
• 2、 -. "ETHER COMPOUNDS AND USES THEREOF". Paragraph 0208. . Retrieved 2019/03/12.