DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE

Base Information

• Chemical Name: DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE
• CAS No.: 138485-29-7
• Molecular Formula: C12H11F3O4
• Molecular Weight: 276.212
• Hs Code.: 2917399090
• Mol file: 138485-29-7.mol

Synonyms:RARECHEM AL BF 1335;DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE

Chemical Property of DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE

Chemical Property:

• Boiling Point: 266.8±35.0 °C(Predicted)
• PKA: 10.98±0.59(Predicted)
• PSA: 52.60000
• Density: 1.296±0.06 g/cm3(Predicted)
• LogP: 2.13500

Purity/Quality:

98%min ^*data from raw suppliers

DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE 98.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE

There total 5 articles about DIMETHYL-(3-(TRIFLUOROMETHYL)-PHENYL)-MALONATE 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: 75.8%

(3-trifluoromethyl-phenyl)-acetic acid methyl ester (62451-84-7) + carbonic acid dimethyl ester (616-38-6) → 2-[3-(trifluoromethyl)phenyl]malonic acid-1,3-dimethyl ester (138485-29-7)

Guidance literature:

(3-trifluoromethyl-phenyl)-acetic acid methyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.5h;

carbonic acid dimethyl ester; In tetrahydrofuran; mineral oil; at 60 ℃; for 18h;

Reference yield: 58.0%

m-trifluoromethylphenyl iodide (401-81-0) + malonic acid dimethyl ester (108-59-8) → 2-[3-(trifluoromethyl)phenyl]malonic acid-1,3-dimethyl ester (138485-29-7)

Guidance literature:

With 1,10-Phenanthroline; caesium carbonate; copper(l) iodide; In 1,4-dioxane; for 18h; Inert atmosphere; Reflux;

Reference yield: 46.0%

1-(iodomethyl)-3-(trifluoromethyl)benzene (120276-50-8) + malonic acid dimethyl ester (108-59-8) → 2-[3-(trifluoromethyl)phenyl]malonic acid-1,3-dimethyl ester (138485-29-7)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,4-dioxane; at 110 ℃; for 24h; Inert atmosphere;

upstream raw materials:

Dimethyl oxalate

(3-trifluoromethyl-phenyl)-acetic acid methyl ester

carbonic acid dimethyl ester

m-trifluoromethylphenyl iodide

Downstream raw materials:

bis(2,4,6‐trichlorophenyl)-2‐(3‐(trifluoromethyl)phenyl)malonate

3,4-dihydro-2,4-dioxo-1-(pyrimidin-5-ylmethyl)-3-(α,α,α-trifluoro-m-tolyl)-2H-pyrido[1,2-a]pyrimidin-1-ium-3-ide

4-Hydroxy-6-methyl-3-(3-trifluoromethyl-phenyl)-1H-pyridin-2-one

α-methyl-α-(m-trifluoromethylphenyl)malonic acid