4-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Base Information

• Chemical Name: 4-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID
• CAS No.: 914636-20-7
• Molecular Formula: C8H4F3IO2
• Molecular Weight: 316.018
• Hs Code.: 2916399090
• Mol file: 914636-20-7.mol

Synonyms:4-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID;4-Iodo-3-(trifluoromethyl)benzoic acid 99%;5-Carboxy-2-iodobenzotrifluoride;4-Iodo-3-(trifluoromethyl)benzoicacid99%

Chemical Property of 4-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Chemical Property:

• Boiling Point: 311.7±42.0 °C(Predicted)
• PKA: 3.59±0.10(Predicted)
• PSA: 37.30000
• Density: 2.005±0.06 g/cm3(Predicted)
• LogP: 3.00820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive/Air Sensitive

Purity/Quality:

96% ^*data from raw suppliers

4-Iodo-3-(trifluoromethyl)benzoic acid 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of 4-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID

There total 6 articles about 4-IODO-3-(TRIFLUOROMETHYL)BENZOIC 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: 98.0%

4-iodo-3-trifluoromethylbenzonitrile (161320-00-9) → 4-iodo-3-(trifluoromethyl)benzoic acid (914636-20-7)

Guidance literature:

With sulfuric acid; In water; at 0 - 100 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201600538

Reference yield: 86.0%

4-amino-3-(trifluoromethyl)benzoic acid (400-76-0) → 4-iodo-3-(trifluoromethyl)benzoic acid (914636-20-7)

Guidance literature:

4-amino-3-(trifluoromethyl)benzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃; for 0.5h;

With potassium iodide; In water; at 20 ℃; for 1h;

Reference yield:

4-iodobenzonitrile (3058-39-7) → 4-iodo-3-(trifluoromethyl)benzoic acid (914636-20-7)

Guidance literature:

Multi-step reaction with 2 steps

1: silver carbonate; sodium carbonate; dipotassium peroxodisulfate / dichloromethane / 10 h / 120 °C / Schlenk technique; Sealed tube

2: sodium hydroxide; water / ethanol / 6 h / Reflux

With dipotassium peroxodisulfate; water; sodium carbonate; silver carbonate; sodium hydroxide; In ethanol; dichloromethane;

DOI:10.1021/ol503189j

upstream raw materials:

4-amino-3-(trifluoromethyl)benzoic acid

4-iodo-3-trifluoromethylbenzonitrile

4-iodobenzonitrile

2-(trifluoromethyl)benzenamine

Refernces

• 1、 Shi, Guangfa,Shao, Changdong,Pan, Shulei,Yu, Jingxun,Zhang, Yanghui. "Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent". supporting information. p. 38 - 41. Retrieved 2015/07/28.