4,5-Difluoro-2-methoxyaniline

Base Information

• Chemical Name: 4,5-Difluoro-2-methoxyaniline
• CAS No.: 1017779-71-3
• Molecular Formula: C7H7F2NO
• Molecular Weight: 159.135
• Hs Code.: 2921490090
• European Community (EC) Number: 679-049-0
• DSSTox Substance ID: DTXSID30602596
• Wikidata: Q82499721
• Mol file: 1017779-71-3.mol

Synonyms:4,5-DIFLUORO-2-METHOXYANILINE;1017779-71-3;4,5-DIFLUORO-2-METHOXY-PHENYLAMINE;Benzenamine, 4,5-difluoro-2-methoxy-;MFCD09832387;SCHEMBL569225;DTXSID30602596;JGCKFBTYRYSVJG-UHFFFAOYSA-N;AKOS006281610;CS-W016185;SB30152;4,5-Difluoro-2-methoxyaniline,jrd,97%;AS-62932;SY198313;DB-262718;C14000;EN300-215964;A897073

Chemical Property of 4,5-Difluoro-2-methoxyaniline

Chemical Property:

• PSA: 35.25000
• LogP: 2.13680
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

4,5-Difluoro-2-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N)F)F

Technology Process of 4,5-Difluoro-2-methoxyaniline

There total 2 articles about 4,5-Difluoro-2-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: 95.0%

1,2-difluoro-4-methoxy-5-nitro-benzene (66684-64-8) → 1,2-difluoro-4-methoxy-5-nitrobenzene (1017779-71-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;

Reference yield:

4,5-difluoro-2-nitro-phenol (55346-97-9) → 1,2-difluoro-4-methoxy-5-nitrobenzene (1017779-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C

2: hydrogen; palladium on activated charcoal / methanol / 2 h / 20 °C

With palladium on activated charcoal; hydrogen; potassium carbonate; In methanol; N,N-dimethyl-formamide;

Reference yield: 94.0%

1,2-difluoro-4-methoxy-5-nitrobenzene (1017779-71-3) + 2-bromobenzo[2,3][1,4]oxazepino[7,6-b]quinoline → N-(4,5-difluoro-2-methoxyphenyl)benzo[2,3][1,4]oxazepino[7,6-b]quinolin-2-amine

Guidance literature:

With chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); sodium t-butanolate; In 1,4-dioxane; at 90 ℃; for 0.75h; Microwave irradiation;

DOI:10.1007/s00044-020-02606-4

upstream raw materials:

4,5-difluoro-2-nitro-phenol

1,2-difluoro-4-methoxy-5-nitro-benzene

Downstream raw materials:

(2-fluoro-5-methoxy-4-nitrophenyl)(methyl)sulfane

SiO₂

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