2,5-Difluorotoluene

Base Information

• Chemical Name: 2,5-Difluorotoluene
• CAS No.: 452-67-5
• Molecular Formula: C7H6F2
• Molecular Weight: 128.121
• Hs Code.: 29039990
• European Community (EC) Number: 207-205-6
• NSC Number: 25757
• UNII: 7K9PUS3HC7
• DSSTox Substance ID: DTXSID10196423
• Nikkaji Number: J196.151I
• Wikidata: Q63396382
• Mol file: 452-67-5.mol

Synonyms:2,5-Difluorotoluene;452-67-5;1,4-Difluoro-2-methylbenzene;Benzene, 1,4-difluoro-2-methyl-;7K9PUS3HC7;EINECS 207-205-6;NSC-25757;AI3-52231;2,5-Difluorotolune;NSC25757;UNII-7K9PUS3HC7;SCHEMBL168684;Benzene,4-difluoro-2-methyl-;DTXSID10196423;TOLUENE, 2,5-DIFLUORO-;1,4-Difluoro-2-methylbenzene #;MFCD00000347;NSC 25757;AKOS005063607;AC-9823;CS-W011135;PS-11940;A7131;AM20060400;D4042;FT-0610370;EN300-95447;W-106152;Q63396382

Chemical Property of 2,5-Difluorotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.343mmHg at 25°C
• Melting Point: -35 °C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 116.3 °C at 760 mmHg
• Flash Point: 12.8 °C
• PSA: 0.00000
• Density: 1.122 g/cm³
• LogP: 2.27320
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.04375652
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

2,5-Difluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, F+
• Hazard Codes: F,F+
• Statements: 11
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CC1=C(C=CC(=C1)F)F

Technology Process of 2,5-Difluorotoluene

There total 9 articles about 2,5-Difluorotoluene 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: 23.1%

2-Fluorotoluene (95-52-3) → 1,4-difluoro-2-methylbenzene (452-67-5) + 1-Fluoromethyl-2-fluorobenzene (62037-89-2) + 1-Methyl-3,6,6-trifluoro-1,4-cyclohexadiene (195886-83-0) + 1-Methyl-3,3,6,6,-tetrafluoro-1,4-cyclohexadiene

Guidance literature:

With tetraethylammonium fluoride; In acetonitrile; Further byproducts given; Ambient temperature; electrolysis: smooth platinum sheets as the anode and the cathode, Ag/AgClO₄ as a reference electrode, 2.5 V, 3.0 F/mol;

DOI:10.1016/S0022-1139(97)00141-3

Reference yield: 10.0%

m-Fluorotoluene (352-70-5) → 1,4-difluoro-2-methylbenzene (452-67-5) + 3-fluoro-benzyl fluoride (2267-30-3) + 1-Methyl-3,3,6-trifluoro-1,4-cyclohexadiene (205597-62-2) + 1-Methyl-3,3,6,6,-tetrafluoro-1,4-cyclohexadiene

Guidance literature:

With tetraethylammonium fluoride; In acetonitrile; Ambient temperature; electrolysis: smooth platinum sheets as the anode and the cathode, Ag/AgClO₄ as a reference electrode, 2.3 V;

DOI:10.1016/S0022-1139(97)00141-3

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → p-fluorotoluene (352-32-9) + 2-Fluorotoluene (95-52-3) + m-Fluorotoluene (352-70-5) + 2,4-difluorotoluene (452-76-6) + 1,4-difluoro-2-methylbenzene (452-67-5) + 3,4-difluorotoluene (2927-34-6)

Guidance literature:

With xenon difluoride; boron trifluoride diethyl etherate; In acetonitrile; at -25 - 22 ℃; Reagent/catalyst; Solvent;

DOI:10.1134/S1070428016100055

upstream raw materials:

5-nitro-2-fluorotoluene

1,4,7,7,8,8-Hexafluor-2-methylbicyclo<2,2,2>octa-2,5-dien

2-Fluorotoluene

m-Fluorotoluene

Downstream raw materials:

tert-butyl 4-[(4-fluoro-5-methyl-2-nitrophenyl)amine]piperidine-1-carboxylate

tert-butyl 4-([2-amino-4-fluoro-5-methylphenyl]amino)piperidine-1-carboxylate

1,1-dimethylethyl 4-(5-fluoro-6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidine-carboxylate

1,4-difluoro-6-(2-phenylethenyl)-benzo[c]phenanthrene

Refernces

• 1、 Momota, Kunitaka,Yonezawa, Tetsuo,Mukai, Katsuji,Morita, Masayuki. "Competitive fluorination on methyl-group and benzene-ring during the anodic fluorination of fluorotoluenes in Et4NF · mHF". . p. 173 - 178. Retrieved 2007/10/03.