Benzoyl chloride, 4-nitro-2-(trifluoromethyl)-

Base Information

• Chemical Name: Benzoyl chloride, 4-nitro-2-(trifluoromethyl)-
• CAS No.: 98187-15-6
• Molecular Formula: C8H3ClF3NO3
• Molecular Weight: 253.565
• Mol file: 98187-15-6.mol

Synonyms:4-nitro-2-trifluoromethyl-benzoylchloride;4-Nitro-2-trifluoromethyl-benzoyl chloride;

Chemical Property of Benzoyl chloride, 4-nitro-2-(trifluoromethyl)-

Chemical Property:

• Melting Point: 138-142?°C(lit.)
• Boiling Point: 283.2±40.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.573±0.06 g/cm3(Predicted)
• LogP: 3.51580

Purity/Quality:

99% ^*data from raw suppliers

4-Nitro-2-(trifluoromethyl)benzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36-43
• Safety Statements: 26-36

MSDS Files:

Useful:

Technology Process of Benzoyl chloride, 4-nitro-2-(trifluoromethyl)-

There total 4 articles about Benzoyl chloride, 4-nitro-2-(trifluoromethyl)- 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:

4-nitro-2-(trifluoromethyl)benzoic acid (320-37-6) → 3-trifluoromethyl-4-nitrobenzoyl chloride (98187-15-6)

Guidance literature:

With thionyl chloride; In toluene; for 1.5h; Heating;

DOI:10.1021/jm00173a026

Reference yield:

2-trifluoromethylbenzoic acid (433-97-6) → 3-trifluoromethyl-4-nitrobenzoyl chloride (98187-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / water / 3 h / 0 - 20 °C / Inert atmosphere

2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 4 h / Inert atmosphere; Cooling with ice

With oxalyl dichloride; sulfuric acid; nitric acid; N,N-dimethyl-formamide; In dichloromethane; water;

Reference yield:

o-trifluoromethylphenyl bromide (392-83-6) → 3-trifluoromethyl-4-nitrobenzoyl chloride (98187-15-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; nitric acid / 20 °C

2.1: methyl iodide; magnesium; iodine / tetrahydrofuran / 3 h / 50 °C / Inert atmosphere

2.2: 2 h / Inert atmosphere

3.1: thionyl chloride / 2 h / Reflux

With thionyl chloride; sulfuric acid; iodine; nitric acid; magnesium; methyl iodide; In tetrahydrofuran;

upstream raw materials:

4-nitro-2-(trifluoromethyl)benzoic acid

2-trifluoromethylbenzoic acid

o-trifluoromethylphenyl bromide

2-bromo-5-nitro-benzotrifluoride

Downstream raw materials:

[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone

4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline

N-[4-(6-chloro-pyrimidin-4-yloxy)-phenyl]-N'-[4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea

N-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-ylamino)phenyl]-4-nitro-2-trifluoromethylbenzamide

Refernces

• 1、 -. "Fluorine-containing aromatic diamine compound and preparation method thereof, and fluorine-containing polyimide compound and preparation method thereof". Paragraph 0146; 0155; 0156; 0157; 0158. . Retrieved 2021/01/29.
• 2、 -. "1H-1,8- NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS". Page/Page column 18. . Retrieved 2015/12/30.