1,4-Dimethoxy-2-fluorobenzene

Base Information

• Chemical Name: 1,4-Dimethoxy-2-fluorobenzene
• CAS No.: 82830-49-7
• Molecular Formula: C8H9FO2
• Molecular Weight: 156.157
• Hs Code.: 29093090
• European Community (EC) Number: 617-387-2
• DSSTox Substance ID: DTXSID00232021
• Nikkaji Number: J267.459I
• Wikidata: Q72467955
• Mol file: 82830-49-7.mol

Synonyms:1,4-Dimethoxy-2-fluorobenzene;2-Fluoro-1,4-dimethoxybenzene;82830-49-7;2,5-Dimethoxyfluorobenzene;Benzene, 2-fluoro-1,4-dimethoxy-;MFCD00042487;SCHEMBL370408;2,5-dimethoxy-1-fluorobenzene;3-fluoro-1,4-dimethoxybenzene;2-fluoro-1,4-dimethoxy-benzene;DTXSID00232021;BBL101668;STL555464;AKOS005063472;CS-W018011;DS-14274;SY011252;AM20041219;F0633;FT-0626479;EN300-108108;A840460

Chemical Property of 1,4-Dimethoxy-2-fluorobenzene

Chemical Property:

• Appearance/Colour: white crystalline low melting solid
• Vapor Pressure: 17.3mmHg at 25°C
• Melting Point: 23-26 °C
• Refractive Index: 1.5038
• Boiling Point: 198 °C at 760 mmHg
• Flash Point: 80 °C
• PSA: 18.46000
• Density: 1.102 g/cm³
• LogP: 1.84290
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.05865769
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-1,4-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 24/25-60-37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)F
• Uses: 2-Fluoro-1,4-dimethoxybenzene is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1,4-Dimethoxy-2-fluorobenzene

There total 3 articles about 1,4-Dimethoxy-2-fluorobenzene 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: 45.0%

1,4-dimethoxybezene (150-78-7) → 2-fluoro-1,4-dimethoxybenzene (82830-49-7)

Guidance literature:

With N-Fluoro-o-benzenedisulfonimide; In chloroform; 1.) 0 deg C, 30 min, 2.) r.t., 6 h;

DOI:10.1021/jo00120a014

Reference yield: 44.0%

2-fluoro-1,4-benzoquinone (367-28-2) + dimethyl sulfate (77-78-1) → 2-fluoro-1,4-dimethoxybenzene (82830-49-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 65 - 70 ℃; for 0.5h;

DOI:10.1021/jm00352a013

Reference yield:

ammonium chloride + N-fluorobis(benzenesulfon)imide (133745-75-2) + 1,4-dimethoxybezene (150-78-7) → (+/-)-cis-2-(3,6-dimethoxy2-fluorophenyl) cyclopropylamine + 2-fluoro-1,4-dimethoxybenzene (82830-49-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; ethyl acetate;

upstream raw materials:

2-fluoro-1,4-benzoquinone

dimethyl sulfate

1,4-dimethoxybezene

N-fluorobis(benzenesulfon)imide

Downstream raw materials:

2-fluoro-3,6-dimethoxybenzaldehyde

1-(2-fluoro-3,6-dimethoxyphenyl)ethanol

[3-(2,5-dimethoxy-phenoxy)-3-phenylpropyl]dimethylamine

(4-fluoro-2,5-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)methanone

Refernces

• 1、 Cantrell, Amanda S.,Engelhardt, Per,H?gberg, Marita,Jaskunas, S. Richard,Johansson, Nils Gunnar,Jordan, Christopher L.,Kangasmets?, Jussi,Kinnick, Michael D.,Lind, Peter,Morin Jr., John M.,Muesing,Noreén, Rolf,?berg, Bo,Pranc, Paul,Sahlberg, Christer,Ternansky, Robert J.,Vasileff, Robert T.,Vrang, Lotta,West, Sarah J.,Zhang, Hong. "Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs". . p. 4261 - 4274. Retrieved 2007/10/03.
• 2、 Glennon,Young,Benington,Morin. "Behavioral and serotonin receptor properties of 4-substituted derivatives of the hallucinogen 1-(2,5-dimethoxyphenyl)-2-aminopropane". . p. 1163 - 1168. Retrieved 2007/10/02.