3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine

Base Information

• Chemical Name: 3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine
• CAS No.: 221198-89-6
• Molecular Formula: C₁₂H₁₇FN₂O
• Molecular Weight: 224.278
• DSSTox Substance ID: DTXSID101241050
• Mol file: 221198-89-6.mol

Synonyms:DTXSID101241050;221198-89-6;3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine

Chemical Property of 3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.13249133
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1CCN(CC1)C2=C(C=C(C=C2)N)F

Technology Process of 3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine

There total 2 articles about 3-Fluoro-4-(4-methoxy-1-piperidinyl)benzenamine 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:

3-Fluoro-4-(4-methoxypiperidin-1-yl)nitrobenzene (221198-18-1) → 3-fluoro-4-(4-methoxy-piperidin-1-yl)-phenylamine (221198-89-6)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; at 20 ℃; for 3h; under 1471.02 Torr;

DOI:10.1248/cpb.49.353

Reference yield:

4-methoxypiperidine (4045-24-3) → 3-fluoro-4-(4-methoxy-piperidin-1-yl)-phenylamine (221198-89-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-diisopropylethylamine / acetonitrile / 17 h / Heating

2: H₂ / PtO₂ / methanol / 3 h / 20 °C / 1471.02 Torr

With hydrogen; N-ethyl-N,N-diisopropylamine; platinum(IV) oxide; In methanol; acetonitrile;

DOI:10.1248/cpb.49.353

Reference yield:

3-fluoro-4-(4-methoxy-piperidin-1-yl)-phenylamine (221198-89-6) → {(S)-3-[3-Fluoro-4-(4-methoxy-piperidin-1-yl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-dithiocarbamic acid

Guidance literature:

Multi-step reaction with 5 steps

1: Et₃N / tetrahydrofuran / 2 h / 20 °C

2: sodium azide / dimethylformamide / 6 h / 65 °C

3: triphenylphosphine; H₂O / tetrahydrofuran / 11 h / 40 °C

4: Et₃N / tetrahydrofuran / 7 h / 0 °C

With sodium azide; water; triethylamine; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1248/cpb.49.353

upstream raw materials:

3-Fluoro-4-(4-methoxypiperidin-1-yl)nitrobenzene

4-methoxypiperidine

Downstream raw materials:

(R)-3-[3-Fluoro-4-(4-methoxy-piperidin-1-yl)-phenyl]-5-hydroxymethyl-oxazolidin-2-one

(S)-5-Aminomethyl-3-[3-fluoro-4-(4-methoxy-piperidin-1-yl)-phenyl]-oxazolidin-2-one

(R)-3-[3-Fluoro-4-(4-methoxy-piperidin-1-yl)-phenyl]-5-isothiocyanatomethyl-oxazolidin-2-one

(R)-5-Azidomethyl-3-[3-fluoro-4-(4-methoxy-piperidin-1-yl)-phenyl]-oxazolidin-2-one