3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Base Information

• Chemical Name: 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride
• CAS No.: 103772-10-7
• Molecular Formula: C₇ClF₄NO₃
• Molecular Weight: 257.529
• DSSTox Substance ID: DTXSID00700750
• Mol file: 103772-10-7.mol

Synonyms:DTXSID00700750;3,4,5,6-tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Chemical Property of 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00265mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 286.4°Cat760mmHg
• Flash Point: 127°C
• PSA: 62.89000
• Density: 1.781g/cm³
• LogP: 3.05340
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 258.9659333
• Heavy Atom Count: 16
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

5-NITRO-2,3,4,5-TETRAFLUORO BENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(C1([N+](=O)[O-])F)F)F)F)C(=O)Cl

Technology Process of 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

There total 3 articles about 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride 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:

oxalyl dichloride (79-37-8) + 2,3,4,5-tetrafluoro-6-nitrobenzoic acid (16583-08-7) → 2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride (103772-10-7)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

2,3,4,5-tetrafluoro-6-nitrobenzoic acid (16583-08-7) → 2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride (103772-10-7)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 16h;

DOI:10.1021/jm00107a039

Reference yield:

2,3,4,5-tetrafluorobenzoic acid (1201-31-6) → 2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride (103772-10-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 35 percent / fuming HNO₃, H₂SO₄ / 5.5 h / 70 °C

2: oxalyl chloride, DMF / CH₂Cl₂ / 16 h

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

DOI:10.1021/jm00107a039

upstream raw materials:

2,3,4,5-tetrafluoro-6-nitrobenzoic acid

2,3,4,5-tetrafluorobenzoic acid

oxalyl dichloride

Downstream raw materials:

2-nitro-3,4,5,6-tetrafluoro-β-oxobenzenepropanoic acid,ethyl ester

5-amino-1-cyclopropyl-7-(3,5-dimethyl-piperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-5-nitro-4-oxo-3-quinolinecarboxylate

ethyl α-(ethoxymethylene)-2,3,4,5-tetrafluoro-6-nitro-β-oxobenzenepropanoate

Refernces

• 1、 -. "4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents". . . Retrieved 2008/06/13.