4-Fluoro-2-methoxy-5-methylaniline

Base Information

• Chemical Name: 4-Fluoro-2-methoxy-5-methylaniline
• CAS No.: 314298-14-1
• Molecular Formula: C8H10 F N O
• Molecular Weight: 155.172
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID20594138
• Wikidata: Q82488887
• Mol file: 314298-14-1.mol

Synonyms:4-fluoro-2-methoxy-5-methylaniline;314298-14-1;4-fluoro-2-methoxy-5-methyl-phenylamine;Benzenamine, 4-fluoro-2-methoxy-5-methyl- (9CI);SCHEMBL5466626;DTXSID20594138;BNELZNXETORJHL-UHFFFAOYSA-N;SB76529;CS-0450884;EN300-200488

Chemical Property of 4-Fluoro-2-methoxy-5-methylaniline

Chemical Property:

• PSA: 35.25000
• LogP: 2.30610
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-2-methoxy-5-methyl-phenylamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)OC)N

Technology Process of 4-Fluoro-2-methoxy-5-methylaniline

There total 2 articles about 4-Fluoro-2-methoxy-5-methylaniline 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-fluoro-5-methoxy-2-methyl-4-nitro-benzene (314298-13-0) → 4-fluoro-2-methoxy-5-methyl-phenylamine (314298-14-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1016/j.bmc.2004.07.062

Reference yield:

5-methoxy-2-methyl-4-nitroaniline (106579-00-4) → 4-fluoro-2-methoxy-5-methyl-phenylamine (314298-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / pyridine; HF-pyridine; sodium nitrite / -70 - 60 °C

2: 99 percent / H₂ / Pd-C / ethanol / 760 Torr

With pyridine; hydrogen; pyridine hydrogenfluoride; sodium nitrite; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmc.2004.07.062

Reference yield: 47.0%

aq sulfuric acid + 4-fluoro-2-methoxy-5-methyl-phenylamine (314298-14-1) → 1-bromo-4-fluoro-2-methoxy-5-methyl-benzene (314298-15-2)

Guidance literature:

With sodium nitrite; copper(I) bromide; In n-heptane; hydrogen bromide; ethyl acetate;

upstream raw materials:

1-fluoro-5-methoxy-2-methyl-4-nitro-benzene

5-methoxy-2-methyl-4-nitroaniline

Downstream raw materials:

1-bromo-4-fluoro-2-methoxy-5-methyl-benzene

4-fluoro-2-methoxy-5-methyl-benzonitrile

4-fluoro-2-methoxy-5-methyl-benzoic acid

N-(4-bromo-2-fluorobenzyl)-4-fluoro-2-hydroxy-5-methyl-benzamide