3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER

Base Information

• Chemical Name: 3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER
• CAS No.: 149770-27-4
• Molecular Formula: C15H12F3NO2
• Molecular Weight: 295.26
• Hs Code.: 2933399090
• Mol file: 149770-27-4.mol

Synonyms:3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER;2-Phenyl-6-trifluoromethyl-nicotinicacidethylester

Chemical Property of 3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER

Chemical Property:

• Boiling Point: 367.0±42.0 °C(Predicted)
• PKA: -2.22±0.22(Predicted)
• PSA: 39.19000
• Density: 1.251±0.06 g/cm3(Predicted)
• LogP: 3.94410

Purity/Quality:

99%min. ^*data from raw suppliers

2-Phenyl-6-trifluoromethyl-nicotinic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER

There total 2 articles about 3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL 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%

2-phenyl-4-trifluoromethyl-1,3-oxazin-6-one (141860-89-1) + propynoic acid ethyl ester (623-47-2) → 3-carboethoxy-2-phenyl-6-trifluoromethyl pyridine (149770-27-4)

Guidance literature:

In chlorobenzene; xylene; at 120 ℃; for 168h;

DOI:10.1002/prac.19933350106

Reference yield: 25.0%

(E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (59938-06-6) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → 3-carboethoxy-2-phenyl-6-trifluoromethyl pyridine (149770-27-4)

Guidance literature:

With ammonium acetate; acetic acid; at 20 ℃; Heating / reflux;

Reference yield: 98.0%

3-carboethoxy-2-phenyl-6-trifluoromethyl pyridine (149770-27-4) → 3-carboxy-2-phenyl-6-trifluoromethyl pyridine (149770-28-5)

Guidance literature:

With potassium hydroxide; In methanol; for 0.5h; Heating;

DOI:10.1002/prac.19933350106

upstream raw materials:

2-phenyl-4-trifluoromethyl-1,3-oxazin-6-one

propynoic acid ethyl ester

(E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

ethyl 3-oxo-3-phenylpropionate

Downstream raw materials:

3-carboxy-2-phenyl-6-trifluoromethyl pyridine

2-Phenyl-6-trifluoromethyl-nicotinoyl azide

3-amino-2-phenyl-6-trifluoromethyl pyridine

Refernces

• 1、 Evariste, Francois,Janousek, Zdenek,Maliverney, Christian,Merenyi, Robert,Viehe, Heinz G.. "Reactivity in Cycloadditions of New 4-Trifluoromethyl-1,3-oxazin-6-ones: Access to Functionalized 2-Trifluoromethyl Pyridines". . p. 35 - 41. Retrieved 2007/10/02.