3-Fluoro-2,4-dimethoxyaniline

Base Information

• Chemical Name: 3-Fluoro-2,4-dimethoxyaniline
• CAS No.: 195136-66-4
• Molecular Formula: C8H10FNO2
• Molecular Weight: 171.171
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID50441343
• Wikidata: Q82258094
• Mol file: 195136-66-4.mol

Synonyms:3-Fluoro-2,4-dimethoxyaniline;195136-66-4;2,4-Dimethoxy-3-fluoroaniline;MFCD09258660;3-fluoro-2,4-dimethoxy-aniline;Benzenamine,3-fluoro-2,4-dimethoxy-;SCHEMBL1429267;DTXSID50441343;VAILCKGWMRWFBD-UHFFFAOYSA-N;3-Fluoro-2,4-dimethoxy-phenylamine;AKOS005259498;AB92945;BS-23112;CS-0195063;E90195;A813785

Chemical Property of 3-Fluoro-2,4-dimethoxyaniline

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 286.249 °C at 760 mmHg
• Flash Point: 126.919 °C
• PSA: 44.48000
• Density: 1.189 g/cm³
• LogP: 2.00630
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.06955672
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

≥95% ^*data from raw suppliers

3-Fluoro-2,4-dimethoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)N)OC)F

Technology Process of 3-Fluoro-2,4-dimethoxyaniline

There total 2 articles about 3-Fluoro-2,4-dimethoxyaniline 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: 100.0%

2-fluoro-1,3-dimethoxy-4-nitrobenzene (155020-44-3) → 1-amino-3-fluoro-2,4-dimethoxybenzene (195136-66-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; ethyl acetate; for 5h;

Reference yield:

2,3,4-trifluoronitrobenzene (771-69-7) → 1-amino-3-fluoro-2,4-dimethoxybenzene (195136-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / methanol / Ambient temperature

2: 92 percent / H₂ / Pd/C / ethanol; ethyl acetate / 2068.6 Torr

With hydrogen; palladium on activated charcoal; In methanol; ethanol; ethyl acetate;

DOI:10.1021/jo9706178

Reference yield: 99.0%

CYANAMID (420-04-2) + 1-amino-3-fluoro-2,4-dimethoxybenzene (195136-66-4) → 1-(3-fluoro-2,4-dimethoxyphenyl)guanidine

Guidance literature:

With nitric acid; In ethanol; water; Reflux; Cooling with ice;

DOI:10.1016/j.ejmech.2017.08.006

upstream raw materials:

2-fluoro-1,3-dimethoxy-4-nitrobenzene

2,3,4-trifluoronitrobenzene

Downstream raw materials:

1,3-dimethoxy-2-fluorobenzene

2-fluoro resorcinol

2-fluoro-4-iodo-1,3-dimethoxybenzene

8-fluoro-4-methylumbelliferyl 2,3,4-tri-O-acetyl-6-O-((18)O)benzoyl-β-D-(6-(18)O)-galactopyranoside

Refernces

• 1、 -. "1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS". Page/Page column 85. . Retrieved 2014/10/03.
• 2、 -. "CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS". Page/Page column 277. . Retrieved 2009/03/07.