2,3-Difluoro-4-methoxyaniline

Base Information

• Chemical Name: 2,3-Difluoro-4-methoxyaniline
• CAS No.: 155020-51-2
• Molecular Formula: C7H7 F2 N O
• Molecular Weight: 159.135
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID10396567
• Mol file: 155020-51-2.mol

Synonyms:2,3-Difluoro-4-methoxyaniline;155020-51-2;BENZENAMINE, 2,3-DIFLUORO-4-METHOXY- (9CI);SCHEMBL1429875;2, 3-difluoro-4-methoxyaniline;DTXSID10396567;MEETZAMYCFAKKW-UHFFFAOYSA-N;MFCD04115986;AKOS015956577;Benzenamine, 2,3-difluoro-4-methoxy-;AS-43879;CS-0140682;FT-0737598

Chemical Property of 2,3-Difluoro-4-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.125mmHg at 25°C
• Melting Point: 38-40℃
• Refractive Index: 1.51
• Boiling Point: 218.5°C at 760 mmHg
• PKA: 2.79±0.10(Predicted)
• Flash Point: 86°C
• PSA: 35.25000
• Density: 1.281g/cm³
• LogP: 2.13680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 159.04957017
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Difluoro-4-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Difluoro-4-methoxyaniline

There total 2 articles about 2,3-Difluoro-4-methoxyaniline 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: 97.0%

2,3-difluoro-1-methoxy-4-nitrobenzene (66684-59-1) → 2,3-difluoro-4-methoxyaniline (155020-51-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 4.5h;

Reference yield:

2,3,4-trifluoronitrobenzene (771-69-7) → 2,3-difluoro-4-methoxyaniline (155020-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 17 h

2: 91 percent / NaBH₄, Pd/C / ethanol; H₂O / 0.67 h

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; ethanol; water;

DOI:10.1021/jm00035a017

Reference yield: 96.0%

acetic anhydride (108-24-7) + 2,3-difluoro-4-methoxyaniline (155020-51-2) → 2,3-difluoro-4-methoxyacetanilide (155020-52-3)

Guidance literature:

In toluene; for 0.75h; Heating;

DOI:10.1021/jm00035a017

upstream raw materials:

2,3-difluoro-1-methoxy-4-nitrobenzene

2,3,4-trifluoronitrobenzene

Downstream raw materials:

2,3-difluoro-4-methoxyacetanilide

2,3-difluoro-4-hydroxyacetanilide

4-Amino-2-diethylaminomethyl-3,5-difluoro-phenol

3-<(diethylamino)methyl>-5,6-difluoro-4-hydroxyacetanilide

Refernces

• 1、 -. "SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH". Paragraph 0308. . Retrieved 2016/05/02.
• 2、 O'Neill, Paul M.,Harrison, Anthony C.,Storr, Richard C.,Hawley, Shaun R.,Ward, Stephen A.,Park, B. Kevin. "The Effect of Fluorine Substitution on the Metabolism and Antimalarial Activity of Amodiaquine". . p. 1362 - 1370. Retrieved 2007/10/02.