3,5-Difluoro-4-methoxyaniline

Base Information

• Chemical Name: 3,5-Difluoro-4-methoxyaniline
• CAS No.: 363-47-3
• Molecular Formula: C7H7F2NO
• Molecular Weight: 159.135
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40382453
• Nikkaji Number: J3.364.028E
• Wikidata: Q69758068
• Mol file: 363-47-3.mol

Synonyms:3,5-Difluoro-4-methoxyaniline;363-47-3;4-Amino-2,6-fluoroanisole;3,5-difluoro-4-methoxybenzenamine;MFCD04115910;Benzenamine, 3,5-difluoro-4-methoxy- (9CI);Benzenamine,3,5-difluoro-4-methoxy- (9CI);SCHEMBL3450618;DTXSID40382453;POVSDXPEJZMSEJ-UHFFFAOYSA-N;3,5-Difluoro-4-methoxybenzeneamine;CK1176;AKOS005255040;AC-7730;CS-W017952;PS-8793;SB75884;SY031230;3,5-Difluoro-4-methoxyaniline, AldrichCPR;AM20040282;FT-0686148;EN300-50127;A19802;Z600386492

Chemical Property of 3,5-Difluoro-4-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Melting Point: 77-80℃
• Refractive Index: 1.51
• Boiling Point: 249.7 °C at 760 mmHg
• Flash Point: 104.8 °C
• PSA: 35.25000
• Density: 1.281 g/cm³
• LogP: 2.13680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Insoluble in water.
• 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: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-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=C1F)N)F
• Uses: 3,5-Difluoro-4-methoxyaniline is used in conjunction with thermal energy.

Technology Process of 3,5-Difluoro-4-methoxyaniline

There total 13 articles about 3,5-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: 99.0%

1,3-difluoro-2-methoxy-5-nitrobenzene (392-25-6) → 3,5-difluoro-4-methoxyaniline (363-47-3)

Guidance literature:

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

DOI:10.1021/jm980435l

Reference yield: 61.0%

5-bromo-1,3-difluoro-2-methoxy-benzene (104197-14-0) → 3,5-difluoro-4-methoxyaniline (363-47-3)

Guidance literature:

5-bromo-1,3-difluoro-2-methoxy-benzene; With magnesium; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -45 ℃; for 2h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; water; toluene; Inert atmosphere;

DOI:10.1038/nchem.2672

Reference yield: 61.0%

→ 3,5-difluoro-4-methoxyaniline (363-47-3)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -45 ℃; for 2h; Inert atmosphere;

upstream raw materials:

1,3-difluoro-2-methoxy-5-nitrobenzene

3,5-difluoro-4-methoxy-benzoic acid amide

4-methoxy-aniline

2,6-difluorophenol

Downstream raw materials:

4-nitro-benzoic acid-(3,5-difluoro-4-methoxy-anilide)

Refernces

• 1、 Gao, Hongyin,Zhou, Zhe,Kwon, Doo-Hyun,Coombs, James,Jones, Steven,Behnke, Nicole Erin,Ess, Daniel H.,Kürti, László. "Rapid heteroatom transfer to arylmetals utilizing multifunctional reagent scaffolds". . p. 681 - 688. Retrieved 2017/06/30.
• 2、 -. "Synthesis of COX-2 and FAAH inhibitors". . . Retrieved 2008/06/13.