METHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE

Base Information

• Chemical Name: METHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE
• CAS No.: 35480-31-0
• Molecular Formula: C12H10 F6 O4
• Molecular Weight: 332.199
• Hs Code.: 2918990090
• Mol file: 35480-31-0.mol

Synonyms:Methyl2,5-bis(2,2,2-trifluoroethoxy)benzoate

Chemical Property of METHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Melting Point: 40-41oC
• Boiling Point: 302.1°C at 760 mmHg
• Flash Point: 132.2°C
• PSA: 44.76000
• Density: 1.377g/cm³
• LogP: 3.35540
• Storage Temp.: 2-8°C
• Solubility.: DCM, DMSO, Methanol

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl2,5-Bis(trifluoroethoxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 2,5-Bis(trifluoroethoxy)benzoate is an intermediate in the synthesis of Flecainide-d4 (F390003), which is the isotope labelled analog of Flecainide. Flecainide is an antiarrhythmic (class IC).

Technology Process of METHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE

There total 9 articles about METHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE 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: 99.0%

N-(2-cyanophenethyl)-N-((4-nitrophenyl)sulfonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide → methyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate (35480-31-0) + N-(2-cyanophenethyl)-4-nitrobenzenesulfonamide

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 12h;

DOI:10.1021/acs.orglett.7b01103

Reference yield: 98.0%

methanol (67-56-1) + 2,5-di-(2,2,2-trifluoroethoxy)benzoic acid (35480-52-5) → methyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate (35480-31-0)

Guidance literature:

With thionyl chloride; at 80 ℃; for 2h;

Reference yield: 84.0%

1,1,1-trifluoro-2-iodoethane (353-83-3) + methyl 5-hydroxy-2-(2,2,2-trifluoroethoxy)benzoate → methyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate (35480-31-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1021/acs.orglett.7b01103

upstream raw materials:

methanol

2,5-di-(2,2,2-trifluoroethoxy)benzoic acid

N-((4-nitrophenyl)sulfonyl)benzamide

1,1,1-trifluoro-2-iodoethane

Downstream raw materials:

2,5-di-(2,2,2-trifluoroethoxy)benzoic acid hydrazide

2,5-bis(2,2,2-trifluoroethoxy)benzoic acid chloride

2,5-di-(2,2,2-trifluoroethoxy)benzoic acid

flecainide

Refernces

• 1、 Yang, Long,Li, Shangda,Cai, Lei,Ding, Yongzheng,Fu, Lei,Cai, Zhihua,Ji, Huafang,Li, Gang. "Palladium-Catalyzed C-H Trifluoroethoxylation of N-Sulfonylbenzamides". . p. 2746 - 2749. Retrieved 2017/05/24.