3,6-DIFLUOROPHTHALIC ACID

Base Information

• Chemical Name: 3,6-DIFLUOROPHTHALIC ACID
• CAS No.: 651-97-8
• Molecular Formula: C8H4F2O4
• Molecular Weight: 202.11
• Hs Code.: 2917399090
• Mol file: 651-97-8.mol

Synonyms:Phthalicacid, 3,6-difluoro- (7CI,8CI);3,6-Difluorophthalic acid;

Chemical Property of 3,6-DIFLUOROPHTHALIC ACID

Chemical Property:

• Appearance/Colour: Cream-coloured powder
• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 184 °C
• Refractive Index: 1.566
• Boiling Point: 357 °C at 760 mmHg
• PKA: 1.68±0.10(Predicted)
• Flash Point: 169.7 °C
• PSA: 74.60000
• Density: 1.644 g/cm³
• LogP: 1.36120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

3,6-DifluorophthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3,6-Difluorophthalic acid is a fluorinated analog of phthalic acid (P384480). Phthalic acid is an organic reagent that is used to synthesize phthalates.

Technology Process of 3,6-DIFLUOROPHTHALIC ACID

There total 4 articles about 3,6-DIFLUOROPHTHALIC 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:

2-<(diethylamino)carbonyl>-3,6-difluorobenzoic acid (131401-56-4) → 3,6-difluoro phthalic acid (651-97-8)

Guidance literature:

With sulfuric acid; In water; for 1h; Heating;

Reference yield:

2,5-difluorobenzoyl chloride (35730-09-7) → 3,6-difluoro phthalic acid (651-97-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / diethylamine / diethyl ether

2: 1.) n-BuLi / 1.) THF, -78 deg C, 1 h, 2.) -65 deg C, 15 min

3: H₂SO₄ / H₂O / 1 h / Heating

With n-butyllithium; sulfuric acid; diethylamine; In diethyl ether; water;

Reference yield:

2,5-difluoro-N,N-diethylbenzamide (131401-55-3) → 3,6-difluoro phthalic acid (651-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, -78 deg C, 1 h, 2.) -65 deg C, 15 min

2: H₂SO₄ / H₂O / 1 h / Heating

With n-butyllithium; sulfuric acid; In water;

upstream raw materials:

2-<(diethylamino)carbonyl>-3,6-difluorobenzoic acid

2,5-difluorobenzoyl chloride

2,5-difluoro-N,N-diethylbenzamide

Downstream raw materials:

1,4-bis {[2-(dimethylamino)ethyl]amino}anthracene-9,10-dione

1,4-Difluoro-5,8-dihydroxyanthracene-9,10-dione

Refernces