6-[4-(TRIFLUOROMETHOXY)PHENYL]NICOTINIC ACID

Base Information

• Chemical Name: 6-[4-(TRIFLUOROMETHOXY)PHENYL]NICOTINIC ACID
• CAS No.: 851266-74-5
• Molecular Formula: C13H8F3NO3
• Molecular Weight: 283.207
• Hs Code.: 2933399990
• Mol file: 851266-74-5.mol

Synonyms:1-Boc-4-(3-iodo-1H-indazol-6-yl)piperazine;6-[4-(t-Butoxycarbonyl)piperazin-1-yl]-3-iodo-1H-indazole;tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate;

Chemical Property of 6-[4-(TRIFLUOROMETHOXY)PHENYL]NICOTINIC ACID

Chemical Property:

• Boiling Point: 377.8±42.0 °C(Predicted)
• PKA: 2.08±0.10(Predicted)
• PSA: 59.42000
• Density: 1.409±0.06 g/cm3(Predicted)
• LogP: 3.34540
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

6-[4-(Trifluoromethoxy)phenyl]nicotinic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-43
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-[4-(TRIFLUOROMETHOXY)PHENYL]NICOTINIC ACID

There total 2 articles about 6-[4-(TRIFLUOROMETHOXY)PHENYL]NICOTINIC 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: 91.0%

methyl 6-[4-(trifluoromethoxy)phenyl]nicotinate (851266-73-4) → 6-[4-(trifluoromethoxy)phenyl]nicotinic acid (851266-74-5)

Guidance literature:

methyl 6-[4-(trifluoromethoxy)phenyl]nicotinate; With potassium hydroxide; In methanol; water; at 40 ℃;

With hydrogenchloride; water; pH=2;

With diethyl ether;

Reference yield:

6-Chloronicotinic acid methyl ester (73781-91-6) + 4-trifluoromethoxyphenylboronic acid (139301-27-2) → 6-[4-(trifluoromethoxy)phenyl]nicotinic acid (851266-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,2-dimethoxyethane; sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 16 h / 80 °C

2.1: potassium hydroxide / methanol; water / 40 °C

2.2: pH 2

With potassium hydroxide; 1,2-dimethoxyethane; sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; 1,2-dimethoxyethane; water;

upstream raw materials:

methyl 6-[4-(trifluoromethoxy)phenyl]nicotinate

6-Chloronicotinic acid methyl ester

4-trifluoromethoxyphenylboronic acid

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